Flora Meilleur

protein crystallography, neutron diffraction, enzymatic mechanism, metallo-enzyme, LPMO, P450

Works (98)

Updated: February 21st, 2026 05:06

2025 article

Journal of Applied Crystallography welcomes eight new Co-editors

Hajdu, J., McIntyre, G. J., & Meilleur, F. (2025, January 31). Journal of Applied Crystallography, Vol. 58, pp. 1–3.

By: J. Hajdu*, G. McIntyre* & F. Meilleur n

Contributors: J. Hajdu*, G. Mcintyre* & F. Meilleur n

author keywords: Co-editors; applied crystallography; structural science
topics (OpenAlex): Crystallization and Solubility Studies; X-ray Diffraction in Crystallography
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UN Sustainable Development Goal Categories
4. Quality Education (Web of Science)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: January 30, 2025

2025 article

Contrast Matching Biopolymers: A SANS-Based Approach to Structural Characterization of Chitosan

Kosgallana, C., Leite, W., Yuan, Y., & Meilleur, F. (2025, January 1). SSRN Electronic Journal, Vol. 1.

By: C. Kosgallana n, W. Leite*, Y. Yuan* & F. Meilleur n

topics (OpenAlex): Biopolymer Synthesis and Applications
Sources: NC State University Libraries, NC State University Libraries
Added: January 27, 2026

2025 article

Identification and characterization of substrate- and product-selective nylon hydrolases

Drufva, E. E., Cahill, J. F., Saint-Vincent, P. M. B., Williams, A. N., Bocharova, V., Capra, N., … Michener, J. K. (2025, June 13). Chem Catalysis, Vol. 5.

topics (OpenAlex): biodegradable polymer synthesis and properties; Enzyme Catalysis and Immobilization; Microplastics and Plastic Pollution
Sources: Web Of Science, NC State University Libraries
Added: September 8, 2025

2025 article

Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation

Rivas-Fernández, J. P., Vuillemin, M., Pilgaard, B., Klau, L. J., Fredslund, F., Lund-Hanssen, C., … Wilkens, C. (2025, March 18). Nature Communications, Vol. 16.

By: J. Rivas-Fernández*, M. Vuillemin*, B. Pilgaard*, L. Klau*, F. Fredslund*, C. Lund-Hanssen*, D. Welner*, A. Meyer* ...

Contributors: J. Rivas-Fernández*, M. Vuillemin*, B. Pilgaard*, L. Klau*, F. Fredslund*, C. Lund-Hanssen*, D. Welner*, A. Meyer* ...

MeSH headings : Polysaccharide-Lyases / metabolism; Polysaccharide-Lyases / chemistry; Alginates / chemistry; Alginates / metabolism; Catalytic Domain; Crystallography, X-Ray; Kinetics; Magnetic Resonance Spectroscopy; Models, Molecular
topics (OpenAlex): Seaweed-derived Bioactive Compounds; Enzyme Production and Characterization; Polysaccharides and Plant Cell Walls
Sources: ORCID, Web Of Science, NC State University Libraries
Added: March 18, 2025

2024 article

Identification and characterization of substrate- and product-selective nylon hydrolases

Drufva, E. E., Cahill, J. F., Saint-Vincent, P. M. B., Williams, A. N., Bocharova, V., Capra, N., … Michener, J. K. (2024, November 14).

topics (OpenAlex): biodegradable polymer synthesis and properties; Microplastics and Plastic Pollution; Enzyme Structure and Function
Source: ORCID
Added: November 14, 2024

2024 article

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Science, U. S. D. O. E. O., Kovalevskyi, A., Meilleur, F., Myles, D., & O'Neill, H. (2024, December 1).

By: U. Science, A. Kovalevskyi, F. Meilleur*, D. Myles n & H. O'Neill*

topics (OpenAlex): Nuclear Physics and Applications
Source: ORCID
Added: July 25, 2025

2024 article

Unraveling the Molecular mechanism of Polysaccharide Lyases for Efficient Alginate Degradation

BioRxiv.

By: J. Rivas-Fernández, M. Vuillemin, B. Pilgaard, L. Klau, F. Fredslund, C. Lund-Hanssen, D. Welner, A. Meyer ...

Contributors: J. Rivas-Fernández, M. Vuillemin, B. Pilgaard, L. Klau, F. Fredslund, C. Lund-Hanssen, D. Welner, A. Meyer ...

topics (OpenAlex):
Source: ORCID
Added: June 3, 2025

2023 article

Equilibration of precipitants in a counter-diffusion apparatus for protein crystallization

Kober, U. A., Ogbuoji, E. A., Hutchinson, J. A., Mueser, T. C., Schall, C. A., & Meilleur, F. (2023, June 23). Journal of Applied Crystallography, Vol. 56, pp. 1057–1065.

By: U. Kober*, E. Ogbuoji*, J. Hutchinson*, T. Mueser*, C. Schall* & F. Meilleur

Contributors: U. Kober*, E. Ogbuoji*, J. Hutchinson*, T. Mueser*, C. Schall* & F. Meilleur

topics (OpenAlex): Protein purification and stability; Enzyme Structure and Function; Protein Structure and Dynamics
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: ORCID
Added: June 3, 2025

2023 article

Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications

Halavanau, A., Margraf, R., Robles, R., Macarthur, J., Qu, Z., Marcus, G., … Meilleur, F. (2023, January 9). Journal of Applied Crystallography, Vol. 56, pp. 155–159.

By: A. Halavanau*, R. Margraf*, R. Robles*, J. Macarthur*, Z. Qu*, G. Marcus*, J. Wu*, T. Sato* ...

Contributors: A. Halavanau*, R. Margraf*, R. Robles*, J. Macarthur*, Z. Qu*, G. Marcus*, J. Wu*, T. Sato* ...

topics (OpenAlex): Advanced X-ray Imaging Techniques; Particle Accelerators and Free-Electron Lasers; Crystallography and Radiation Phenomena
Source: ORCID
Added: June 3, 2025

2023 article

Neutron Scattering in the Biological Sciences: Techniques And Applications

Meilleur, F. (2023, January 20). Journal of Visualized Experiments, Vol. 1.

By: F. Meilleur n

Contributors: F. Meilleur n

MeSH headings : Biological Science Disciplines; Crystallization; Data Collection; Hydrogen; Neutrons
topics (OpenAlex): Nuclear Physics and Applications
TL;DR: ARTICLES DISCUSSED Vahdatahar, E., Junius, N., Budayova-Spano, M. and Stingaciu, L.-R. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: June 12, 2023

2023 article

Structural analysis and functional evaluation of the disordered ß–hexosyltransferase region from Hamamotoa (Sporobolomyces) singularis

Dagher, S. F., Vaishnav, A., Stanley, C. B., Meilleur, F., Edwards, B. F. P., & Bruno-Bárcena, J. M. (2023, December 14). Frontiers in Bioengineering and Biotechnology, Vol. 11.

By: S. Dagher n, A. Vaishnav*, C. Stanley, F. Meilleur n, B. Edwards* & J. Bruno-Bárcena n

Contributors: S. Dagher n, A. Vaishnav*, C. Stanley, F. Meilleur n, B. Edwards* & J. Bruno-Bárcena n

author keywords: disorder; expression; kinetics; mutagenesis; transglycosylation; Hamamotoa singularis
topics (OpenAlex): Enzyme Production and Characterization; Glycosylation and Glycoproteins Research; Carbohydrate Chemistry and Synthesis; Enzyme Structure and Function
TL;DR: Functional analysis of each glycosylation site found within the C-terminal domain revealed reduced total secreted protein activity, indicating that glycosylation at all four locations is required by the host for the secretion of active enzyme and independent of the removed disordered N-terminal region. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: December 31, 2023

2022 article

Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase

Schröder, G. C., O'Dell, W. B., Webb, S. P., Agarwal, P. K., & Meilleur, F. (2022, January 1). Chemical Science, Vol. 11.

By: G. Schröder n, W. O'Dell n, S. Webb*, P. Agarwal* & F. Meilleur n

Contributors: G. Schröder n, . W.B. O'Dell n, S. Webb*, P. Agarwal* & F. Meilleur n

topics (OpenAlex): Metal-Catalyzed Oxygenation Mechanisms; Enzyme Structure and Function; Enzyme-mediated dye degradation; Microbial bioremediation and biosurfactants; Microbial metabolism and enzyme function; Microbial Metabolic Engineering and Bioproduction
TL;DR: It is established that the conserved second-shell His161 in MtPMO3* displays conformational flexibility in solution and that this flexibility is also observed, though to a lesser extent, in His157 of NcLPMO9D. (via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: November 3, 2022

2022 article

Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding

Tandrup, T., Muderspach, S. J., Banerjee, S., Santoni, G., Ipsen, J., Hernández-Rollán, C., … Moffat, K. (2022, August 16). IUCrJ, Vol. 9, pp. 666–681.

By: T. Tandrup*, S. Muderspach*, S. Banerjee*, G. Santoni*, J. Ipsen*, C. Hernández-Rollán*, M. N?rholm*, K. Johansen* ...

Contributors: T. Tandrup*, S. Muderspach*, S. Banerjee*, G. Santoni*, J. Ipsen*, C. Hernández-Rollán*, M. Nørholm*, K. Johansen* ...

topics (OpenAlex): Microbial bioremediation and biosurfactants; Biofuel production and bioconversion; Microbial metabolism and enzyme function; Plant biochemistry and biosynthesis; Enzyme-mediated dye degradation; Microbial Metabolism and Applications
TL;DR: The Cu-site geometry is monitored in two AA9 LPMOs, one from Lentinus similis (LsAA9_A) and one from Thermoascus aurantiacus (TaAA9-A), as the active-site Cu is photoreduced in the X-ray beam. (via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: August 17, 2022

2022 article

Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature

Moreno-Chicano, T., Carey, L. M., Axford, D., Beale, J. H., Doak, R. B., Duyvesteyn, H. M. E., … Hough, M. A. (2022, July 25). IUCrJ, Vol. 9, pp. 610–624.

author keywords: serial femtosecond crystallography; serial synchrotron crystallography; neutron crystallography; XFELs; room temperature; metalloenzymes
topics (OpenAlex): Enzyme Structure and Function; Porphyrin Metabolism and Disorders; Hemoglobin structure and function
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UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions (OpenAlex)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: September 29, 2022

2022 article

Extending MIEZE spectroscopy towards thermal wavelengths

Jochum, J. K., Franz, C., Keller, T., Pfleiderer, C., & Meilleur, F. (2022, October 27). Journal of Applied Crystallography, Vol. 55, pp. 1424–1431.

Contributors: J. Jochum*, C. Franz*, T. Keller*, C. Pfleiderer* & F. Meilleur

topics (OpenAlex): Nuclear Physics and Applications; Machine Learning in Materials Science; Solid-state spectroscopy and crystallography
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: June 3, 2025

2022 article

Joint X-ray/neutron structure of Lentinus similis AA9_A at room temperature

Tandrup, T., Lo Leggio, L., Meilleur, F., & Romao, M. J. (2022, November 24). Acta Crystallographica Section F Structural Biology Communications, Vol. 79, pp. 1–7.

By: T. Tandrup*, L. Lo Leggio*, F. Meilleur n & M. Romao

Contributors: T. Tandrup*, L. Lo Leggio*, F. Meilleur n & M. Romao

author keywords: lytic polysaccharide mono-oxygenases; Lentinus similis AA9_A; copper metalloenzymes; protonation states; neutron crystallography
MeSH headings : X-Rays; Copper; Temperature; Crystallography, X-Ray; Polysaccharides / chemistry
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Enzyme Production and Characterization
Sources: ORCID, Web Of Science, NC State University Libraries
Added: November 25, 2022

2022 article

Mapping H+ in the Nanoscale (A2C4)2-Ag8 Fluorophore

David, F., Setzler, C., Sorescu, A., Lieberman, R. L., Meilleur, F., & Petty, J. T. (2022, December 1). The Journal of Physical Chemistry Letters, Vol. 12, pp. 11317–11322.

By: F. David*, C. Setzler*, A. Sorescu*, R. Lieberman*, F. Meilleur n & J. Petty*

Contributors: F. David*, C. Setzler*, A. Sorescu*, R. Lieberman*, F. Meilleur n & J. Petty*

topics (OpenAlex): Nanocluster Synthesis and Applications; Gold and Silver Nanoparticles Synthesis and Applications; Carbon and Quantum Dots Applications
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Sources: ORCID, Web Of Science, NC State University Libraries
Added: December 2, 2022

2022 article

Pressure cells for in situ neutron total scattering: time and real-space resolution during deuterium absorption

Ikeda, K., Ohshita, H., Otomo, T., Sakaki, K., Kim, H., Nakamura, Y., … Meilleur, F. (2022, November 11). Journal of Applied Crystallography, Vol. 55, pp. 1631–1639.

topics (OpenAlex): Nuclear Physics and Applications; Nuclear Materials and Properties; Nuclear reactor physics and engineering
Source: ORCID
Added: June 3, 2025

2022 article

Teaching and Education highlighted

Dawe, L. N., García-Ruiz, J. M., Hajdu, J., McIntyre, G. J., Meilleur, F., & Stephenson, L. (2022, April 1). Journal of Applied Crystallography, Vol. 55, pp. 215–217.

By: L. Dawe*, J. García-Ruiz*, J. Hajdu*, G. McIntyre*, F. Meilleur n & L. Stephenson*

Contributors: L. Dawe*, J. García-Ruiz*, J. Hadju*, G. McIntyre*, F. Meilleur n & L. Stephenson*

author keywords: teaching; education
topics (OpenAlex): Various Chemistry Research Topics; Nanotechnology research and applications; X-ray Diffraction in Crystallography
Sources: ORCID, Web Of Science, NC State University Libraries
Added: April 14, 2022

2022 article

The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition

Sacco, M. D., Hu, Y., Gongora, M. V., Meilleur, F., Kemp, M. T., Zhang, X., … Chen, Y. (2022, March 15). Cell Research, Vol. 3, pp. 498–500.

Contributors: M. Sacco*, Y. Hu*, M. Gongora*, F. Meilleur n, M. Kemp*, X. Zhang*, J. Wang*, Y. Chen*

MeSH headings : COVID-19; Catalysis; Humans; Mutation / genetics; Peptide Hydrolases; SARS-CoV-2
topics (OpenAlex): SARS-CoV-2 and COVID-19 Research; Computational Drug Discovery Methods; thermodynamics and calorimetric analyses
TL;DR: The enzymatic activity, drug inhibition, and structure of OMpro are characterized while evaluating the past and future implications of Mpro mutations, and PAXLOVID, a ritonavir-boosted formulation of nirmatrelvir, is issued. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: April 4, 2022

2022 article

The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition

Sacco, M. D., Hu, Y., Gongora, M. V., Meilleur, F., Kemp, M. T., Zhang, X., … Chen, Y. (2022, January 27). BioRxiv.

Contributors: M. Sacco*, Y. Hu*, M. Gongora*, F. Meilleur*, M. Kemp*, X. Zhang*, J. Wang*, Y. Chen*

topics (OpenAlex): SARS-CoV-2 and COVID-19 Research; Computational Drug Discovery Methods; CRISPR and Genetic Engineering
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
3. Good Health and Well-being (OpenAlex)
Source: ORCID
Added: June 3, 2025

2022 article

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature

Correy, G. J., Kneller, D. W., Phillips, G., Pant, S., Russi, S., Cohen, A. E., … Fraser, J. S. (2022, February 9). BioRxiv.

topics (OpenAlex): Protein Structure and Dynamics; PARP inhibition in cancer therapy; Lipid Membrane Structure and Behavior
Source: ORCID
Added: June 3, 2025

2022 article

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature

Correy, G. J., Kneller, D. W., Phillips, G., Pant, S., Russi, S., Cohen, A. E., … Fraser, J. S. (2022, May 27). Science Advances, Vol. 5.

By: G. Correy*, D. Kneller*, G. Phillips*, S. Pant*, S. Russi*, A. Cohen*, G. Meigs*, J. Holton* ...

Contributors: G. Correy*, D. Kneller*, G. Phillips*, S. Pant*, S. Russi*, A. Cohen*, G. Meigs*, J. Holton* ...

topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Heat shock proteins research
Sources: Web Of Science, NC State University Libraries, ORCID
Added: June 20, 2022

2022 article

Two-step GISAXS characterization of NiSi2 nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film

Da Silva Costa, D., Kellermann, G., Craievich, A. F., & Meilleur, F. (2022, November 30). Journal of Applied Crystallography, Vol. 56, pp. 95–102.

By: D. Da Silva Costa, G. Kellermann*, A. Craievich* & F. Meilleur

Contributors: D. Da Silva Costa, G. Kellermann*, A. Craievich* & F. Meilleur

topics (OpenAlex): Silicon Nanostructures and Photoluminescence; Semiconductor materials and interfaces; Thin-Film Transistor Technologies
Source: ORCID
Added: June 3, 2025

2021 article

Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase

Schröder, G. C., O'Dell, W. B., Webb, S. P., Agarwal, P. K., & Meilleur, F. (2021, December 13). ChemRxiv.

Contributors: G. Schröder n, . W.B. O'Dell*, S. Webb*, P. Agarwal* & F. Meilleur n

topics (OpenAlex): Metal-Catalyzed Oxygenation Mechanisms; Enzyme-mediated dye degradation; Enzyme Structure and Function
Source: ORCID
Added: December 14, 2021

2021 article

Characterization of biomass-degrading enzymes using neutron diffraction and scattering

Meilleur, F. (2021, January 2). Neutron News, Vol. 32, pp. 13–14.

By: F. Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Biofuel production and bioconversion; Enzyme Production and Characterization; Microbial Metabolism and Applications
Source: ORCID
Added: June 3, 2025

2021 article

Metalloprotein catalysis: structural and mechanistic insights into oxidoreductases from neutron protein crystallography

Schröder, G. C., & Meilleur, F. (2021, September 27). Acta Crystallographica Section D Structural Biology, Vol. 77, pp. 1251–1269.

By: G. Schröder n & F. Meilleur n

Contributors: G. Schröder n & F. Meilleur n

author keywords: neutron protein crystallography; X-ray diffraction; metalloproteins; enzymatic mechanisms; protonation; radiation damage
MeSH headings : Animals; Catalysis; Crystallography, X-Ray / methods; Humans; Metalloproteins / chemistry; Models, Molecular; Neutron Diffraction / methods; Neutrons; Oxidoreductases / chemistry
topics (OpenAlex): Enzyme Structure and Function; Mass Spectrometry Techniques and Applications; X-ray Spectroscopy and Fluorescence Analysis
TL;DR: Neutron protein crystallography provides insight into the structure and reaction mechanism of transition-state metal oxidoreductases without resulting in radiation-damage-induced artefacts. (via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: September 28, 2021

2021 article

Preliminary results of neutron and X-ray diffraction data collection on a lytic polysaccharide monooxygenase under reduced and acidic conditions

Schröder, G. C., O'Dell, W. B., Swartz, P. D., & Meilleur, F. (2021, March 31). Acta Crystallographica Section F Structural Biology Communications, Vol. 77, pp. 128–133.

By: G. Schröder n, W. O'Dell n, P. Swartz n & F. Meilleur n

Contributors: G. Schro der n, W. O Dell n, P. Swartz n & F. Meilleur n

author keywords: lytic polysaccharide monooxygenases; Neurospora crassa; neutron protein crystallography; reduction; protonation; enzymatic mechanism.
MeSH headings : Data Collection / methods; Hydrogen-Ion Concentration; Mixed Function Oxygenases / analysis; Mixed Function Oxygenases / chemistry; Neurospora crassa / chemistry; Neutron Diffraction / methods; Polysaccharides / analysis; Polysaccharides / chemistry; Protein Structure, Secondary; X-Ray Diffraction / methods
topics (OpenAlex): Enzyme Structure and Function; Biofuel production and bioconversion; Advanced Cellulose Research Studies
TL;DR: To characterize the reaction-mechanism intermediates of LPMO9D from Neurospora crassa, a cryo-neutron diffraction data set was collected from an ascorbate-reduced crystal to probe the protonation states of ionizable groups involved in catalysis under acidic conditions. (via Semantic Scholar)
Sources: ORCID, Web Of Science, NC State University Libraries
Added: April 1, 2021

2020 article

A beginner’s guide to neutron macromolecular crystallography

Meilleur, F. (2020, November 20). The Biochemist, Vol. 42, pp. 16–20.

By: F. Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Nuclear Physics and Applications; Boron Compounds in Chemistry
Source: ORCID
Added: November 24, 2020

2020 article

Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals

Pierce, J., Cuneo, M. J., Jennings, A., Li, L., Meilleur, F., Zhao, J., & Myles, D. A. A. (2020, January 1). Methods in Enzymology on CD-ROM/Methods in Enzymology, Vol. 634, pp. 153–175.

By: J. Pierce*, M. Cuneo*, A. Jennings*, L. Li*, F. Meilleur n, J. Zhao*, D. Myles*

Contributors: J. Pierce*, M. Cuneo*, A. Jennings*, L. Li*, F. Meilleur n, J. Zhao*, D. Myles*

MeSH headings : Crystallography; Hydrogen; Neutron Diffraction; Neutrons; Protons
topics (OpenAlex): Enzyme Structure and Function; Advanced NMR Techniques and Applications; Nuclear Physics and Applications
TL;DR: This chapter describes current efforts to develop and apply DNP techniques for spin polarized neutron protein crystallography, highlighting concepts, experimental design, labeling strategies and recent results, as well as considering new strategies for data collection and analysis that these techniques could enable. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 24, 2020

2020 article

HANDS 2019 - A decade of neutron scattering education in structural biology at Oak Ridge National Laboratory

Flora Meilleur. (2020, October 1). Neutron News, Vol. 31, pp. 9–10.

By: . Flora Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Nuclear Physics and Applications; Enzyme Structure and Function; Graphite, nuclear technology, radiation studies
Source: ORCID
Added: June 3, 2025

2020 article

IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor

Meilleur, F., Kovalevsky, A., & Myles, D. A. A. (2020, January 1). Methods in Enzymology on CD-ROM/Methods in Enzymology, Vol. 634, pp. 69–85.

By: F. Meilleur n, A. Kovalevsky* & D. Myles*

Contributors: F. Meilleur n, A. Kovalevsky* & D. Myles*

MeSH headings : Crystallography; Crystallography, X-Ray; Neutron Diffraction; Neutrons; Proteins; Synchrotrons
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Biochemical and Molecular Research
TL;DR: The beamline components, the diffractometer and the data collection and data analysis protocols that are used are described, and the protein deuteration, crystallization and conventional crystallography capabilities that are available to users at ORNL's neutron facilities are outlined. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 24, 2020

2020 article

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

Schröder, G. C., & Meilleur, F. (2020, December 1). Journal of Visualized Experiments, Vol. 12, pp. 1–38.

By: G. Schröder n & F. Meilleur n

Contributors: G. Schröder n & F. Meilleur n

MeSH headings : Amino Acids / chemistry; Buffers; Crystallization; Crystallography, X-Ray; Data Collection; Deuterium / chemistry; Hydrogen / chemistry; Hydrogen-Ion Concentration; Mixed Function Oxygenases / chemistry; Models, Molecular; Neurospora crassa / enzymology; Neutron Diffraction; Particle Size; Polysaccharides / chemistry; Proteins / chemistry; Signal-To-Noise Ratio; User-Computer Interface; Water / chemistry
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Nuclear Physics and Applications
TL;DR: This work demonstrates mounting of hydrogenated protein crystals in quartz capillaries for neutron diffraction data collection, and the process of determining a neutron structure will be demonstrated using crystals of the lytic polysaccharide monooxygenase Neurospora crassa LPMO9D, a copper-containing metalloprotein involved in the degradation of recalcitrantpolysaccharides via oxidative cleavage of the glycosidic bond. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: June 10, 2021

2020 article

ORNL hosts first virtual HANDS workshop

Flora Meilleur. (2020, October 1). Neutron News, Vol. 31, pp. 11–12.

By: . Flora Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Nuclear Physics and Applications
Source: ORCID
Added: June 3, 2025

2019 article

A prototype system for dynamically polarized neutron protein crystallography

Pierce, J., Crow, L., Cuneo, M., Edwards, M., Herwig, K. W., Jennings, A., … Zhao, J. K. (2019, June 13). Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment, Vol. 940, pp. 430–434.

By: J. Pierce*, L. Crow*, M. Cuneo*, M. Edwards*, K. Herwig*, A. Jennings*, A. Jones*, L. Li* ...

Contributors: J. Pierce*, L. Crow*, M. Cuneo*, M. Edwards*, K. Herwig*, A. Jennings*, A. Jones*, L. Li* ...

author keywords: Polarized target; Dynamic nuclear polarization; Protein crystallography; Neutron scattering
topics (OpenAlex): Enzyme Structure and Function; Nuclear Physics and Applications; Advanced NMR Techniques and Applications
Sources: Web Of Science, NC State University Libraries, ORCID
Added: July 29, 2019

2019 article

Neutron and X-ray analysis of the Fenna–Matthews–Olson photosynthetic antenna complex from Prosthecochloris aestuarii

Lu, X., Selvaraj, B., Ghimire-Rijal, S., Orf, G. S., Meilleur, F., Blankenship, R. E., … Myles, D. A. A. (2019, February 20). Acta Crystallographica Section F Structural Biology Communications, Vol. 75, pp. 171–175.

author keywords: neutron crystallography; photosynthesis; hydrogen; site energy; neutron diffraction; Fenna-Matthews-Olson protein; Prosthecochloris aestuarii
MeSH headings : Chlorobi / chemistry; Chlorobi / physiology; Light-Harvesting Protein Complexes / chemistry; Neutron Diffraction / methods; Photosynthesis; Protein Conformation; X-Ray Diffraction / methods
topics (OpenAlex): Photosynthetic Processes and Mechanisms; Spectroscopy and Quantum Chemical Studies; Advanced Chemical Physics Studies; Hydrocarbon exploration and reservoir analysis
TL;DR: The Fenna-Matthews-Olson protein from Prosthecochloris aestuarii has been crystallized in a new form that is amenable to high- resolution X-ray and neutron analysis, and will allow the first high-resolution neutron analysis of a photosynthetic antenna complex. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 25, 2019

2019 article

Titration of ionizable groups in proteins using multiple neutron data sets from a single crystal: application to the small GTPase Ras

Knihtila, R., Volmar, A. Y., Meilleur, F., & Mattos, C. (2019, January 23). Acta Crystallographica Section F Structural Biology Communications, Vol. 75, pp. 111–115.

By: R. Knihtila*, A. Volmar*, F. Meilleur n & C. Mattos*

Contributors: R. Knihtila*, A. Volmar*, F. Meilleur n & C. Mattosa*

author keywords: in crystallo titration; neutron crystallography; pK(a); protonation; radiation damage
MeSH headings : Crystallization; Humans; Hydrogen-Ion Concentration; Models, Molecular; Monomeric GTP-Binding Proteins / chemistry; Neutron Diffraction / methods; Protein Binding; Protein Conformation
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; RNA and protein synthesis mechanisms
TL;DR: The use of a single crystal of the small GTPase Ras to collect three neutron data sets is reported, enabling an in crystallo titration study using NPC, which will allow the analysis of allosteric water-mediated communication networks across the molecule, particularly regarding Cys118 and three tyrosine residues central to these networks. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: February 18, 2019

2018 article

A suite-level review of the neutron single-crystal diffraction instruments at Oak Ridge National Laboratory

Coates, L., Cao, H. B., Chakoumakos, B. C., Frontzek, M. D., Hoffmann, C., Kovalevsky, A. Y., … Ye, F. (2018, September 1). Review of Scientific Instruments, Vol. 89.

topics (OpenAlex): Nuclear Physics and Applications; Enzyme Structure and Function; Advanced NMR Techniques and Applications
Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 16, 2018

2018 article

IMAGINE: neutrons reveal enzyme chemistry

Schröder, G. C., O'Dell, W. B., Myles, D. A. A., Kovalevsky, A., & Meilleur, F. (2018, July 17). Acta Crystallographica Section D Structural Biology, Vol. 74, pp. 778–786.

Contributors: G. Schröder n, W. O’Dell n, D. Myles*, A. Kovalevsky* & F. Meilleur n

author keywords: neutron crystallography; enzyme mechanisms; deuterons; protons; hydrogen; IMAGINE; neutron diffraction
MeSH headings : Crystallography; Deuterium; Enzymes / chemistry; Hydrogen; Neutron Diffraction / instrumentation; Neutron Diffraction / methods
topics (OpenAlex): Nuclear Physics and Applications; Enzyme Structure and Function; Mass Spectrometry Techniques and Applications
TL;DR: This review gives an overview of the IMAGINE beamline at the HFIR, presents examples of the scientific questions being addressed at this beamline, and highlights important findings in enzyme chemistry that have been made using the neutron diffraction capabilities offered by IMAGine. (via Semantic Scholar)
Source: ORCID
Added: May 25, 2021

2018 journal article

Modulating Enzyme Activity by Altering Protein Dynamics with Solvent

Biochemistry, 57(29), 4263–4275.

MeSH headings : 2-Propanol / metabolism; Crystallography, X-Ray / methods; Enzyme Activation / drug effects; Escherichia coli / chemistry; Escherichia coli / enzymology; Escherichia coli / metabolism; Kinetics; Molecular Dynamics Simulation; Protein Conformation / drug effects; Solvents / metabolism; Static Electricity; Tetrahydrofolate Dehydrogenase / chemistry; Tetrahydrofolate Dehydrogenase / metabolism; Viscosity; Water / metabolism
topics (OpenAlex): Enzyme Catalysis and Immobilization; Microbial Metabolic Engineering and Bioproduction; Protein Structure and Dynamics
TL;DR: An approach that uses an aqueous mixture of organic solvent to control the functionally relevant enzyme dynamics (without changing the structure), which in turn modulates the enzyme activity, providing vital insights that show the altered motions of DHFR cause significant changes in the enzyme's ability to access its functionally relevant conformational substates. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Crossref, NC State University Libraries, ORCID
Added: February 18, 2020

2018 article

Neutron scattering in the biological sciences: progress and prospects

Ashkar, R., Bilheux, H. Z., Bordallo, H., Briber, R., Callaway, D. J. E., Cheng, X., … Smith, J. C. (2018, December 1). Acta Crystallographica Section D Structural Biology, Vol. 74, pp. 1129–1168.

author keywords: neutron scattering; biological systems; structure and dynamics
MeSH headings : Animals; Crystallography / methods; Deuterium / analysis; Deuterium Exchange Measurement / methods; Humans; Models, Molecular; Neutron Diffraction / methods; Neutrons; Proteins / chemistry
topics (OpenAlex): Nuclear Physics and Applications; Enzyme Structure and Function; Mass Spectrometry Techniques and Applications
TL;DR: Crystallography, solution scattering, dynamics, membranes, labeling and imaging, as well as future prospects that can be expected given recent advances in sources, instrumentation and computational power and methods are examined. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: January 21, 2019

2018 article

Next-generation diamond cell and applications to single-crystal neutron diffraction

Haberl, B., Dissanayake, S., Wu, Y., Myles, D. A. A., Santos, A. M., Loguillo, M., … Boehler, R. (2018, September 1). Review of Scientific Instruments, Vol. 89.

By: B. Haberl n, S. Dissanayake n, Y. Wu n, D. Myles n, A. Santos n, M. Loguillo n, G. Rucker n, D. Armitage n ...

Contributors: B. Haberl n, S. Dissanayake n, Y. Wu n, D. Myles n, A. Dos Santos n, M. Loguillo n, G. Rucker n, D. Armitage n ...

topics (OpenAlex): High-pressure geophysics and materials; Nuclear Physics and Applications; Diamond and Carbon-based Materials Research
TL;DR: A diamond cell optimized for single-crystal neutron diffraction is described, made from a copper beryllium alloy and sized to fit into ORNL's magnets for future ultra-low temperature and high-field studies. (via Semantic Scholar)
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13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: October 16, 2018

2018 article

Structural investigation of cellobiose dehydrogenase IIA: Insights from small angle scattering into intra- and intermolecular electron transfer mechanisms

Bodenheimer, A. M., O'Dell, W. B., Oliver, R. C., Qian, S., Stanley, C. B., & Meilleur, F. (2018, January 31). Biochimica Et Biophysica Acta (BBA) - General Subjects, Vol. 1862, pp. 1031–1039.

By: A. Bodenheimer n, W. O'Dell n, R. Oliver*, S. Qian*, C. Stanley* & F. Meilleur n

Contributors: A. Bodenheimer n, . W.B. O'Dell n, R. Oliver*, S. Qian*, C. Stanley* & F. Meilleur n

author keywords: Intramolecular electron transfer (IaET); Intermolecular electron transfer (IeET); Redox complex; Oxidative cellulose degradation; Small-angle scattering; Modeling
MeSH headings : Ascomycota / enzymology; Ascomycota / genetics; Calcium / chemistry; Calcium / metabolism; Carbohydrate Dehydrogenases / chemistry; Carbohydrate Dehydrogenases / genetics; Carbohydrate Dehydrogenases / metabolism; Cellulose / chemistry; Cellulose / metabolism; Electron Transport; Fungal Proteins / chemistry; Fungal Proteins / genetics; Fungal Proteins / metabolism; Hydrogen-Ion Concentration; Models, Molecular; Neurospora crassa / enzymology; Neurospora crassa / genetics; Oxidation-Reduction; Protein Binding; Protein Conformation; Scattering, Small Angle; X-Ray Diffraction
topics (OpenAlex): Photosynthetic Processes and Mechanisms; Enzyme Structure and Function; Spectroscopy and Quantum Chemical Studies
TL;DR: The present study is the first report on the structural landscapes explored in solution by oxidized cellobiose dehydrogenases under various cation concentrations, pH conditions and in the presence of an electron-accepting LPMO. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 6, 2018

2018 article

The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

Meilleur, F., Coates, L., Cuneo, M. J., Kovalevsky, A., & Myles, D. A. A. (2018, October 11). Crystals, Vol. 8.

Contributors: F. Meilleur n, L. Coates*, M. Cuneo*, A. Kovalevsky* & D. Myles*

author keywords: neutron; crystallography; macromolecules; Laue diffraction; hydrogen; proton; deuteration
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Nuclear Physics and Applications
Sources: Web Of Science, NC State University Libraries, ORCID
Added: November 19, 2018

2017 journal article

An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase

Scientific Reports, 7(1), 40517,

MeSH headings : Amides / chemistry; Binding Sites; Biocatalysis; Cholesterol Oxidase / metabolism; Conserved Sequence; Crystallography, X-Ray; Flavin-Adenine Dinucleotide / metabolism; Flavins / chemistry; Flavins / metabolism; Hydrogen Bonding; Models, Molecular; Oxidation-Reduction; Substrate Specificity
topics (OpenAlex): Photosynthetic Processes and Mechanisms; Spectroscopy and Quantum Chemical Studies; Photochemistry and Electron Transfer Studies
TL;DR: A novel second-order partial-charge interaction network is proposed which enables the correct orientation of the hydride receiving orbital of N5 and affects the N-H bond length in the region of the flavin reactive center. (via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: January 6, 2020

2017 article

Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineeredPichia pastorisfor X-ray and neutron diffraction

O'Dell, W. B., Swartz, P. D., Weiss, K. L., & Meilleur, F. (2017, January 19). Acta Crystallographica Section F Structural Biology Communications, Vol. 73, pp. 70–78.

By: W. O'Dell n, P. Swartz n, K. Weiss* & F. Meilleur n

Contributors: . W.B. O'Dell n, P. Swartz n, K. Weiss* & F. Meilleur n

author keywords: lytic polysaccharide monooxygenases; Pichia pastoris; glycoengineering; neutron proteincrystallography
MeSH headings : Amino Acid Sequence; Catalytic Domain; Cloning, Molecular; Crystallography; Fungal Polysaccharides / chemistry; Fungal Polysaccharides / metabolism; Fungal Proteins / chemistry; Fungal Proteins / genetics; Fungal Proteins / metabolism; Gene Expression; Genetic Engineering; Mixed Function Oxygenases / chemistry; Mixed Function Oxygenases / genetics; Mixed Function Oxygenases / metabolism; Models, Molecular; Neurospora crassa / chemistry; Neurospora crassa / enzymology; Neutron Diffraction; Pichia / enzymology; Pichia / genetics; Plasmids / chemistry; Plasmids / metabolism; Protein Binding; Protein Conformation, beta-Strand; Recombinant Proteins / chemistry; Recombinant Proteins / genetics; Recombinant Proteins / metabolism; Substrate Specificity; X-Ray Diffraction
topics (OpenAlex): Biofuel production and bioconversion; Enzyme Production and Characterization; Microbial Natural Products and Biosynthesis
TL;DR: Diffraction resolution and crystal morphology were improved by expressing NcPMO-2 from a glycoengineered strain of P. pastoris and by the use of crystal seeding methods, respectively, which resulted in high-resolution X-ray diffraction data collection at 100 K and the production of a large Nc PMO- 2 crystal suitable for room-temperature neutron diffractionData collection to 2.12 Å resolution. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2017 article

Neutron crystallographic studies of T4 lysozyme at cryogenic temperature

Li, L., Shukla, S., Meilleur, F., Standaert, R. F., Pierce, J., Myles, D. A. A., & Cuneo, M. J. (2017, July 14). Protein Science, Vol. 26, pp. 2098–2104.

author keywords: T4-lysozyme; neutron; structure; X-ray; hydrogen
MeSH headings : Cold Temperature; Hydrogen / chemistry; Models, Molecular; Muramidase / chemistry; Neutron Diffraction; Protein Conformation; Water / chemistry
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Crystallization and Solubility Studies
TL;DR: A near complete atomic structure of T4L is described, which includes the positions of 1737 hydrogen atoms determined by neutron crystallography, which reveals explicit detail of the hydrogen bonding interactions in the protein, in addition to the protonation states of several important residues. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 6, 2018

2017 article

Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type

Hiromoto, T., Meilleur, F., Shimizu, R., Shibazaki, C., Adachi, M., Tamada, T., & Kuroki, R. (2017, July 14). Protein Science, Vol. 26, pp. 1953–1963.

By: T. Hiromoto*, F. Meilleur n, R. Shimizu*, C. Shibazaki*, M. Adachi*, T. Tamada*, R. Kuroki*

Contributors: T. Hiromoto*, F. Meilleur n, R. Shimizu*, C. Shibazaki*, M. Adachi*, T. Tamada*, R. Kuroki*

author keywords: lysozyme; hydrolysis; perdeuteration; neutron crystallography
MeSH headings : Bacteriophage T4 / enzymology; Bacteriophage T4 / genetics; Binding Sites / genetics; Crystallography, X-Ray; Hydrolysis; Models, Molecular; Muramidase / chemistry; Muramidase / genetics; Muramidase / metabolism; Muramidase / ultrastructure; Mutation / genetics; Neutrons; Protein Conformation
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Biochemical and Molecular Research
TL;DR: The neutron structure of the perdeuterated T26H mutant is determined to clarify the protonation states of Glu11 and the substituted His26, which are key in the retaining reaction of T4 phage lysozyme. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 6, 2018

2017 article

Structural studies of Neurospora crassa LPMO9D and redox partner CDHIIA using neutron crystallography and small-angle scattering

Bodenheimer, A. M., O'Dell, W. B., Stanley, C. B., & Meilleur, F. (2017, March 5). Carbohydrate Research, Vol. 3, pp. 200–204.

By: A. Bodenheimer n, W. O'Dell n, C. Stanley* & F. Meilleur n

Contributors: A. Bodenheimer n, . W.B. O'Dell n, C. Stanley* & F. Meilleur n

author keywords: Polysaccharide monooxygenases; Cellobiose dehydrogenases; Neutron diffraction; Neutron scattering; X-ray induced photoreduction
MeSH headings : Carbohydrate Dehydrogenases / chemistry; Carbohydrate Dehydrogenases / metabolism; Catalytic Domain; Crystallography, X-Ray; Mixed Function Oxygenases / chemistry; Mixed Function Oxygenases / metabolism; Models, Molecular; Neurospora crassa / enzymology; Oxidation-Reduction; Scattering, Small Angle
topics (OpenAlex): Advanced Cellulose Research Studies; Enzyme Structure and Function; Biofuel production and bioconversion
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2016 article

Crystal structures of wild‐type Trichoderma reesei Cel7A catalytic domain in open and closed states

Bodenheimer, A. M., & Meilleur, F. (2016, October 19). FEBS Letters, Vol. 590, pp. 4429–4438.

By: A. Bodenheimer n & F. Meilleur n

Contributors: A. Bodenheimer n & F. Meilleur n

author keywords: Cel7A; cellulase; closed state; processivity; product-binding site; Trichoderma reesei
MeSH headings : Binding Sites; Catalytic Domain; Crystallography, X-Ray; Glycoside Hydrolases / chemistry; Glycoside Hydrolases / genetics; Glycoside Hydrolases / metabolism; Molecular Dynamics Simulation; Mutation; Trichoderma / enzymology
topics (OpenAlex): Biofuel production and bioconversion; Catalysis for Biomass Conversion; Microbial Metabolic Engineering and Bioproduction
TL;DR: Analysis of the interactions formed by R251 provides a structural rationale for the concurrent decrease in product inhibition and catalytic efficiency measured for product‐binding site mutants. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2016 journal article

Detection of Mycoplasma haemocanis, Mycoplasma haematoparvum, Mycoplasma suis and other vector-borne pathogens in dogs from Córdoba and Santa Fé, Argentina

Parasites & Vectors, 9(1).

By: P. Mascarelli n, G. Tartara*, N. Pereyra* & R. Maggi n

author keywords: Dogs; Babesia vogeli; Anaplasma phagocytophilum; Anaplasma platys; Ehrlichia canis; Mycoplasma haemocanis; Mycoplasma haematoparvum; Mycoplasma suis; Bartonella spp.; Argentina
MeSH headings : Animals; Argentina / epidemiology; Dog Diseases / epidemiology; Dog Diseases / microbiology; Dogs; Female; Male; Mycoplasma / classification; Mycoplasma / genetics; Mycoplasma / isolation & purification; Mycoplasma / physiology; Mycoplasma Infections / epidemiology; Mycoplasma Infections / microbiology; Mycoplasma Infections / veterinary; Tick-Borne Diseases / epidemiology; Tick-Borne Diseases / microbiology; Tick-Borne Diseases / veterinary
topics (OpenAlex): Vector-borne infectious diseases; Bartonella species infections research; Viral Infections and Vectors
TL;DR: Three MyCoplasma spp. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, Crossref
Added: August 6, 2018

2016 article

Dynamically polarized samples for neutron protein crystallography at the Spallation Neutron Source

Zhao, J., Pierce, J., Myles, D., Robertson, J. L., Herwig, K. W., Standaert, B., … Meilleur, F. (2016, September 1). Journal of Physics Conference Series, Vol. 746.

By: J. Zhao*, J. Pierce*, D. Myles*, J. Robertson*, K. Herwig*, B. Standaert*, M. Cuneo*, L. Li*, F. Meilleur*

Contributors: J. Zhao*, J. Pierce*, D. Myles*, J. Robertson*, K. Herwig*, B. Standaert*, M. Cuneo*, L. Li*, F. Meilleur*

topics (OpenAlex): Enzyme Structure and Function; Advanced NMR Techniques and Applications; Protein Structure and Dynamics
Source: ORCID
Added: June 3, 2025

2016 article

Innentitelbild: Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase (Angew. Chem. 3/2017)

O'Dell, W. B., Agarwal, P. K., & Meilleur, F. (2016, December 22). Angewandte Chemie.

By: W. O'Dell n, P. Agarwal* & F. Meilleur n

topics (OpenAlex): Microbial metabolism and enzyme function; Enzyme Catalysis and Immobilization
Source: ORCID
Added: January 6, 2020

2016 journal article

Inside Cover: Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase (Angew. Chem. Int. Ed. 3/2017)

Angewandte Chemie International Edition, 56(3), 658–658.

By: W. O'Dell n, P. Agarwal* & F. Meilleur n

topics (OpenAlex): Biofuel production and bioconversion; Enzyme Production and Characterization; Microbial Metabolic Engineering and Bioproduction
Sources: ORCID, Crossref, NC State University Libraries
Added: January 6, 2020

2016 article

Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase

O'Dell, W. B., Agarwal, P. K., & Meilleur, F. (2016, December 22). Angewandte Chemie International Edition, Vol. 56, pp. 767–770.

By: W. O'Dell n, P. Agarwal* & F. Meilleur n

Contributors: . W.B. O'Dell n, P. Agarwal* & F. Meilleur n

author keywords: copper; oxidoreductases; oxygen activation; polysaccharide monooxygenases; protein structures
MeSH headings : Catalytic Domain; Mixed Function Oxygenases / chemistry; Mixed Function Oxygenases / metabolism; Models, Molecular; Neurospora crassa / enzymology; Oxygen / chemistry; Oxygen / metabolism; Polysaccharides / chemistry; Polysaccharides / metabolism
topics (OpenAlex): Enzyme Production and Characterization; Biofuel production and bioconversion; Enzyme-mediated dye degradation
TL;DR: High-resolution X-ray crystal structures of an enzyme from Neurospora crassa in the resting state and of a copper(II) dioxo intermediate complex formed in the absence of substrate are determined, providing a new structural description of oxygen activation by substrate free lytic polysaccharide monooxygenases. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2016 article

Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase

O'Dell, W. B., Agarwal, P. K., & Meilleur, F. (2016, December 22). Angewandte Chemie, Vol. 129, pp. 785–788.

By: W. O'Dell n, P. Agarwal* & F. Meilleur n

topics (OpenAlex): Enzyme Production and Characterization; Biofuel production and bioconversion; Enzyme-mediated dye degradation
Source: ORCID
Added: January 6, 2020

2015 journal article

Crystal structure and thermal expansion of a CsCe2Cl7 scintillator

Journal of Solid State Chemistry, 227, 142–149.

author keywords: X-ray diffraction; Crystal structure; Thermal expansion; Scintillator; Crystal growth
topics (OpenAlex): Solid-state spectroscopy and crystallography; Luminescence Properties of Advanced Materials; Crystal Structures and Properties
Sources: Crossref, NC State University Libraries, ORCID
Added: September 4, 2020

2015 article

Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP γ-Phosphate

Knihtila, R., Holzapfel, G., Weiss, K., Meilleur, F., & Mattos, C. (2015, October 29). Journal of Biological Chemistry, Vol. 290, pp. 31025–31036.

By: R. Knihtila*, G. Holzapfel n, K. Weiss*, F. Meilleur n & C. Mattos n

Contributors: R. Knihtila*, G. Holzapfel n, K. Weiss*, F. Meilleur n & C. Mattos n

MeSH headings : Catalysis; Guanosine Triphosphate / analogs & derivatives; Guanosine Triphosphate / chemistry; Guanosine Triphosphate / genetics; Guanosine Triphosphate / metabolism; Humans; Hydrolysis; Neutrons; Protein Structure, Tertiary; Proto-Oncogene Proteins p21(ras) / chemistry; Proto-Oncogene Proteins p21(ras) / genetics; Proto-Oncogene Proteins p21(ras) / metabolism
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Amino Acid Enzymes and Metabolism
TL;DR: The neutron crystal structure of RAS bound to the GTP analogue GppNHp shows a protonated γ-phosphate at physiological pH, which counters the notion that the phosphate groups of GTP are fully deprotonated at the start of the hydrolysis reaction. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
8. Decent Work and Economic Growth (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2015 article

Neutron protein crystallography: A complementary tool for locating hydrogens in proteins

O'Dell, W. B., Bodenheimer, A. M., & Meilleur, F. (2015, November 22). Archives of Biochemistry and Biophysics, Vol. 602, pp. 48–60.

By: W. O'Dell n, A. Bodenheimer n & F. Meilleur n

Contributors: . W.B. O'Dell n, A. Bodenheimer n & F. Meilleur n

author keywords: Neutron; Crystallography; Hydrogen; Enzyme; Protonation; Water
MeSH headings : Computer Simulation; Crystallization / methods; Hydrogen / analysis; Hydrogen / chemistry; Models, Chemical; Models, Molecular; Neutron Diffraction / methods; Protein Conformation; Proteins / chemistry; Proteins / ultrastructure
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
TL;DR: Methods to produce isotopically-substituted proteins and to grow large crystals are provided in the context of neutron structures reported in the literature along with technique-specific strategies including joint X-ray/neutron structure refinement. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2015 article

Production and characterization of recombinant perdeuterated cholesterol oxidase

Golden, E., Attwood, P. V., Duff, A. P., Meilleur, F., & Vrielink, A. (2015, June 13). Analytical Biochemistry, Vol. 485, pp. 102–108.

Contributors: E. Golden*, P. Attwood*, A. Duff*, F. Meilleur n & A. Vrielink*

author keywords: Flavoenzyme; Perdeuteration; Thermal stability; Protein expression; Enzyme kinetics; Protein structure
MeSH headings : Cholesterol Oxidase / biosynthesis; Cholesterol Oxidase / chemistry; Cholesterol Oxidase / genetics; Crystallography, X-Ray; Deuterium / chemistry; Escherichia coli / chemistry; Escherichia coli / enzymology; Escherichia coli / genetics; Isotope Labeling / methods; Recombinant Proteins / biosynthesis; Recombinant Proteins / chemistry; Recombinant Proteins / genetics
topics (OpenAlex): Enzyme Structure and Function; Steroid Chemistry and Biochemistry; Protein Structure and Dynamics
TL;DR: Structural and functional studies indicate that the perdeuterated protein is suitable for structural studies by neutron crystallography directed at understanding the role of hydrogen atoms in enzyme catalysis. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2014 article

Crystallization and preliminary X-ray diffraction analysis ofHypocrea jecorinaCel7A in two new crystal forms

Bodenheimer, A. M., Cuneo, M. J., Swartz, P. D., He, J., O'Neill, H. M., Myles, D. A., … Section, F. (2014, May 9). Acta Crystallographica Section F Structural Biology Communications, Vol. 70, pp. 773–776.

By: A. Bodenheimer n, M. Cuneo*, P. Swartz n, J. He*, H. O'Neill*, D. Myles*, B. Evans*, F. Meilleur n, F. Section

Contributors: A. Bodenheimer n, M. Cuneo*, P. Swartz n, J. He*, . H.M. O'Neill*, D. Myles*, B. Evans*, F. Meilleur n

MeSH headings : Cellulose 1,4-beta-Cellobiosidase / chemistry; Crystallization; Crystallography, X-Ray; Electrophoresis, Polyacrylamide Gel; Hypocrea / chemistry
topics (OpenAlex): Enzyme Production and Characterization; Advanced Cellulose Research Studies; Biofuel production and bioconversion
TL;DR: A preliminary analysis of the electron-density maps suggests that the linker and CBM are disordered in both crystal forms of Cel7A, which consists of a large 434-residue N-terminal catalytic domain capable of cleaving cellulose, a 27-Residue flexible linking module and a small 36- Residue C-Terminal carbohydrate-binding module. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2014 article

Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant

Munshi, P., Snell, E. H., Woerd, Mj, J., Ra, M., Da, R., … D. (2014, January 28). Acta Crystallographica Section D Biological Crystallography, Vol. 70, pp. 414–420.

By: P. Munshi*, E. Snell*, Woerd, J. Mj*, M. Ra*, R. Da, M. Z n, A. F, D.

Contributors: P. Munshi*, E. Snell*, M. Van Der Woerd*, R. Judge*, D. Myles*, Z. Ren, F. Meilleur n

MeSH headings : Aldose-Ketose Isomerases / chemistry; Aldose-Ketose Isomerases / genetics; Bacterial Proteins / chemistry; Bacterial Proteins / genetics; Catalytic Domain; Glucose / analogs & derivatives; Glucose / chemistry; Hydrogen Bonding; Models, Molecular; Mutation; Neutron Diffraction; Protein Binding; Protein Conformation; Protons; Recombinant Proteins / chemistry; Recombinant Proteins / genetics; Scattering, Small Angle; Streptomyces / chemistry; Streptomyces / enzymology; X-Ray Diffraction
topics (OpenAlex): Diet, Metabolism, and Disease; Pancreatic function and diabetes; Enzyme Structure and Function
TL;DR: The structure of the xylose isomerase E186Q mutant with cyclic glucose bound at the active site, refined against joint X-ray and neutron diffraction data, is reported and reveals an extended hydrogen-bonding network that connects the conserved residues Lys289 and Lys183 through three structurally conserved water molecules and residue 186, which is a glutamic acid to glutamine mutation. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2014 article

ORNL hosts the participants of the 4thNeutrons in Structural Biology Workshop and the IMAGINE single crystal neutron diffractometer first external users

Meilleur, F. (2014, January 2). Neutron News, Vol. 25, pp. 12–12.

By: F. Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Enzyme Structure and Function; Molecular Biology Techniques and Applications; RNA and protein synthesis mechanisms
TL;DR: This year’s workshop had an additional special event as the course also provided several participants with the opportunity to become the fi rst external users of the new single crystal diffractometer at the HFIR (Figures 1 and 2). (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2014 article

The Neutrons in Structural Biology Workshop celebrates its 5th edition

Meilleur, F. (2014, October 2). Neutron News, Vol. 25, pp. 11–11.

By: F. Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Nuclear Physics and Applications
Source: ORCID
Added: January 6, 2020

2013 article

Neutron Scattering Techniques and Applications in Structural Biology

Ankner, J. F., Heller, W. T., Herwig, K. W., Meilleur, F., & Myles, D. A. A. (2013, April 1). Current Protocols in Protein Science.

Contributors: J. Ankner*, W. Heller*, K. Herwig*, F. Meilleur n & D. Myles*

MeSH headings : Cell Membrane / chemistry; Deuterium; Models, Molecular; Molecular Biology / methods; Neutron Diffraction / methods; Neutrons; Proteins / chemistry
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Nuclear Physics and Applications
TL;DR: An overview of the available techniques and their practical application to the study of biomolecular systems is described and summarized. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2013 article

New insight into the structure of RNA in red clover necrotic mosaic virus and the role of divalent cations revealed by small-angle neutron scattering

Martin, S. L., He, L., Meilleur, F., Guenther, R. H., Sit, T. L., Lommel, S. A., & Heller, W. T. (2013, March 12). Archives of Virology, Vol. 158, pp. 1661–1669.

By: S. Martin n, L. He*, F. Meilleur n, R. Guenther n, T. Sit n, S. Lommel n, W. Heller*

Contributors: S. Martin n, L. He*, F. Meilleur n, R. Guenther n, T. Sit n, S. Lommel n, W. Heller*

MeSH headings : Cations, Divalent / chemistry; Cations, Divalent / metabolism; Models, Biological; Models, Molecular; Nucleic Acid Conformation; Nucleocapsid / chemistry; Nucleocapsid / metabolism; RNA, Viral / chemistry; RNA, Viral / metabolism; Scattering, Small Angle; Tombusviridae / chemistry; Tombusviridae / genetics
topics (OpenAlex): Plant Virus Research Studies; Plant pathogens and resistance mechanisms; Plant and Fungal Interactions Research
TL;DR: Small-angle neutron scattering with contrast variation experiments were performed to better understand the organization of the RNA and conformational changes resulting from the removal of divalent cations in red clover necrotic mosaic virus and provide new insight into changes in the RNA packing. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
2. Zero Hunger (Web of Science)
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2013 article

Refinement of macromolecular structures against neutron data withSHELXL2013

Gruene, T., Hahn, H. W., Luebben, A. V., Meilleur, F., & Sheldrick, G. M. (2013, December 6). Journal of Applied Crystallography, Vol. 47, pp. 462–466.

By: T. Gruene*, H. Hahn*, A. Luebben*, F. Meilleur n & G. Sheldrick*

Contributors: T. Gruene*, H. Hahn*, A. Luebben*, F. Meilleur n & G. Sheldrick*

topics (OpenAlex): Enzyme Structure and Function; Mass Spectrometry Techniques and Applications; Nuclear Physics and Applications
TL;DR: Improvements over the previous versions that facilitate the refinement of macromolecular structures against neutron data are included and a list of restraints for H-atom refinement is included. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2013 article

The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography

Meilleur, F., Munshi, P., Robertson, L., Stoica, A. D., Crow, L., Kovalevsky, A., … Myles, D. A. A. (2013, September 19). Acta Crystallographica Section D Biological Crystallography, Vol. 69, pp. 2157–2160.

By: F. Meilleur n, P. Munshi*, L. Robertson*, A. Stoica*, L. Crow*, A. Kovalevsky*, T. Koritsanszky*, B. Chakoumakos*, R. Blessing*, D. Myles*

Contributors: F. Meilleur n, P. Munshi*, L. Robertson*, A. Stoica*, L. Crow*, A. Kovalevsky*, T. Koritsanszky*, B. Chakoumakos*, R. Blessing*, D. Myles*

MeSH headings : Archaeal Proteins / chemistry; Crystallography, X-Ray / instrumentation; Crystallography, X-Ray / methods; Hydrogen Bonding; Macromolecular Substances / chemistry; Neutrons; Pyrococcus furiosus / chemistry; Rubredoxins / chemistry; Scattering, Radiation; X-Ray Diffraction
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
TL;DR: The first high-resolution neutron protein structure of perdeuterated rubredoxin from Pyrococcus furiosus (PfRd) determined using the new IMAGINE macromolecular neutron crystallography instrument at the Oak Ridge National Laboratory is reported. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2013 article

Third School on the Applications of Neutron Scattering Techniques in Structural Biology, Oak Ridge, TN

Meilleur, F. (2013, January 22). Neutron News, Vol. 24, pp. 4–4.

By: F. Meilleur n

Contributors: F. Meilleur n

topics (OpenAlex): Metabolomics and Mass Spectrometry Studies
Source: ORCID
Added: January 6, 2020

2012 article

Neutron protein crystallography at ultra-low (<15 K) temperatures

Myles, D. A. A., Dauvergne, F., Blakeley, M. P., & Meilleur, F. (2012, June 19). Journal of Applied Crystallography, Vol. 45, pp. 686–692.

By: D. Myles*, F. Dauvergne*, M. Blakeley* & F. Meilleur n

Contributors: D. Myles*, F. Dauvergne*, M. Blakeley* & F. Meilleur n

author keywords: neutron protein crystallography; flash cooling; cryocrystallography
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2012 article

Open Conformation of Ezrin Bound to Phosphatidylinositol 4,5-Bisphosphate and to F-actin Revealed by Neutron Scattering

Jayasundar, J. J., Ju, J. H., He, L., Liu, D., Meilleur, F., Zhao, J., … Bu, Z. (2012, August 27). Journal of Biological Chemistry, Vol. 287, pp. 37119–37133.

Contributors: J. Jayasundar*, J. Ju*, L. He*, D. Liu*, F. Meilleur n, J. Zhao*, D. Callaway*, Z. Bu*

MeSH headings : Actins / chemistry; Amino Acid Substitution; Cytoskeletal Proteins / chemistry; Cytoskeletal Proteins / genetics; Humans; Kinetics; Models, Molecular; Mutagenesis, Site-Directed; Neutron Diffraction; Phosphatidylinositol 4,5-Diphosphate / chemistry; Phosphoproteins / chemistry; Phosphoproteins / genetics; Protein Binding; Protein Structure, Quaternary; Protein Structure, Tertiary; Scattering, Small Angle; Sodium-Hydrogen Exchangers / chemistry; Surface Plasmon Resonance; X-Ray Diffraction
topics (OpenAlex): Neurofibromatosis and Schwannoma Cases; Cellular transport and secretion; Cell Adhesion Molecules Research
TL;DR: The study provides the first structural view of the activated ezrin bound to PIP2 and to F-actin, suggesting a possible role of eZrin in regulating the interfacial structure and dynamics between the cell membrane and the underlying actin cytoskeleton. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2011 article

Conformational Changes in Sindbis Virus Induced by Decreased pH Are Revealed by Small-Angle Neutron Scattering

He, L., Piper, A., Meilleur, F., Hernandez, R., Heller, W. T., & Brown, D. T. (2011, December 8). Journal of Virology, Vol. 86, pp. 1982–1987.

By: L. He*, A. Piper n, F. Meilleur n, R. Hernandez n, W. Heller* & D. Brown n

Contributors: L. He*, A. Piper n, F. Meilleur n, R. Hernandez n, W. Heller* & D. Brown n

MeSH headings : Hydrogen-Ion Concentration; RNA, Viral / chemistry; RNA, Viral / genetics; RNA, Viral / metabolism; Scattering, Small Angle; Sindbis Virus / chemistry; Sindbis Virus / genetics; Sindbis Virus / metabolism; Viral Proteins / chemistry; Viral Proteins / genetics; Virion / chemistry; Virion / genetics; Virion / metabolism
topics (OpenAlex): Viral gastroenteritis research and epidemiology; Bacteriophages and microbial interactions; Viral Infections and Outbreaks Research
TL;DR: Small-angle neutron scattering with contrast variation is employed to probe how the structure of a mammalian-grown Sindbis virus responds to moderately acidic pH and improves the understanding of the pH-driven alteration of Sind Bis virus structure. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2011 journal article

Molecular and Serological Diagnosis of Bartonella Infection in 61 Dogs from the United States

Journal of Veterinary Internal Medicine, 25(4), 805–810.

By: C. Pérez n, R. Maggi n, P. Diniz n & E. Breitschwerdt n

author keywords: Bacteria; BAPGM; Bartonella; Blood culture
MeSH headings : Animals; Antibodies, Bacterial / blood; Bartonella / genetics; Bartonella / isolation & purification; Bartonella Infections / blood; Bartonella Infections / diagnosis; Bartonella Infections / microbiology; Bartonella Infections / veterinary; Culture Media; DNA, Bacterial / chemistry; DNA, Bacterial / genetics; Dog Diseases / blood; Dog Diseases / diagnosis; Dog Diseases / microbiology; Dogs; Fluorescent Antibody Technique, Indirect / veterinary; Logistic Models; Multivariate Analysis; Polymerase Chain Reaction / methods; Polymerase Chain Reaction / veterinary; Retrospective Studies
topics (OpenAlex): Bartonella species infections research; Rabies epidemiology and control; Viral Infections and Vectors
TL;DR: Dogs were most often infected with B. henselae or B. berkhoffii based on PCR and enrichment culture, coinfection was documented, and various Bartonella species were identified. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries, Crossref
Added: August 6, 2018

2011 article

Rapid visualization of hydrogen positions in protein neutron crystallographic structures

Munshi, P., Chung, S. L., Blakeley, M. P., Weiss, K. L., Myles, D. A., Meilleur, F., & Section, D. (2011, December 9). Acta Crystallographica Section D Biological Crystallography, Vol. 68, pp. 35–41.

By: P. Munshi*, S. Chung*, M. Blakeley*, K. Weiss*, D. Myles*, F. Meilleur n, D. Section

Contributors: P. Munshi*, S. Chung*, M. Blakeley*, K. Weiss*, D. Myles* & F. Meilleur n

MeSH headings : Hydrogen / analysis; Hydrogen / chemistry; Models, Molecular; Neutron Diffraction / methods; Protein Structure, Tertiary; Proteins / chemistry; Time Factors
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
TL;DR: Comparison of perdeuterated rubredoxin structures refined against neutron data sets collected over hours and up to 5 d shows that rapid neutron data collection in just 14 h is sufficient to provide the positions of 269 D atoms without ambiguity. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2011 article

Redox-Promoting Protein Motions in Rubredoxin

Borreguero, J. M., He, J., Meilleur, F., Weiss, K. L., Brown, C. M., Myles, D. A., … Agarwal, P. K. (2011, May 24). The Journal of Physical Chemistry B, Vol. 115, pp. 8925–8936.

MeSH headings : Computer Simulation; Models, Molecular; Molecular Dynamics Simulation; Oxidation-Reduction; Rubredoxins / chemistry; Static Electricity
topics (OpenAlex): Protein Structure and Dynamics; Spectroscopy and Quantum Chemical Studies; Mass Spectrometry Techniques and Applications
TL;DR: This study reports on the characterization of temperature-activated collective and individual atomic motions of oxidized rubredoxin, a small 53 residue protein from thermophilic Pyrococcus furiosus (RdPf). (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2011 article

Scattering functions of Platonic solids

Li, X., Shew, C.-Y., He, L., Meilleur, F., Myles, D. A. A., Liu, E., … Chen, W.-R. (2011, April 26). Journal of Applied Crystallography, Vol. 44, pp. 545–557.

By: X. Li*, C. Shew*, L. He*, F. Meilleur n, D. Myles*, E. Liu*, Y. Zhang*, G. Smith* ...

Contributors: X. Li*, C. Shew*, L. He*, F. Meilleur n, D. Myles*, E. Liu*, Y. Zhang*, G. Smith* ...

topics (OpenAlex): Optical Polarization and Ellipsometry; Radiation Shielding Materials Analysis; Pigment Synthesis and Properties
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UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries, ORCID
Added: August 6, 2018

2010 article

Crystallization and preliminary X-ray diffraction analysis of red clover necrotic mosaic virus

Martin, S. L., Guenther, R. H., Sit, T. L., Swartz, P. D., Meilleur, F., Lommel, S. A., … Section, F. (2010, October 27). Acta Crystallographica Section F Structural Biology and Crystallization Communications, Vol. 66, pp. 1458–1462.

By: S. Martin n, R. Guenther n, T. Sit n, P. Swartz n, F. Meilleur n, S. Lommel n, R. Rose n, F. Section

Contributors: S. Martin n, R. Guenther n, T. Sit n, P. Swartz n, F. Meilleur n, S. Lommel n, R. Rose n

author keywords: red clover necrotic mosaic virus; dianthoviruses; viruses
MeSH headings : Crystallization; Crystallography, X-Ray; Microscopy, Electron, Transmission; Tombusviridae / chemistry; Tombusviridae / ultrastructure; Virion / chemistry; Virion / ultrastructure
topics (OpenAlex): Plant Virus Research Studies; Plant and Fungal Interactions Research; Bacteriophages and microbial interactions
TL;DR: Red clover necrotic mosaic virus is a species that belongs to the Tombusviridae family of plant viruses with a T = 3 icosahedral capsid and crystals diffracted to better than 4 Å resolution but were very radiation-sensitive, causing rapid decay of the high-resolution reflections. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
2. Zero Hunger (Web of Science)
13. Climate Action (Web of Science)
15. Life on Land (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2010 article

The Structure of Sindbis Virus Produced from Vertebrate and Invertebrate Hosts as Determined by Small-Angle Neutron Scattering

He, L., Piper, A., Meilleur, F., Myles, D. A. A., Hernandez, R., Brown, D. T., & Heller, W. T. (2010, March 11). Journal of Virology, Vol. 84, pp. 5270–5276.

Contributors: L. He*, A. Piper n, F. Meilleur n, D. Myles*, R. Hernandez n, D. Brown n, W. Heller*

MeSH headings : Animals; Cell Line; Cricetinae; Culicidae; Scattering, Small Angle; Sindbis Virus / chemistry; Sindbis Virus / growth & development; Virion / chemistry; Virion / isolation & purification
topics (OpenAlex): Mosquito-borne diseases and control; Viral Infections and Vectors; Viral gastroenteritis research and epidemiology
TL;DR: The first study of the structural differences between Sindbis viruses grown in mammalian and insect cells are reported, which were determined by small-angle neutron scattering (SANS), a nondestructive technique that did not decrease the infectivity of the Sindbis virus particles studied. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2010 article

Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography

Gardberg, A. S., Castillo, D., Ar, W., Kl, M., F, B., Mp, M., … D. (2010, April 20). Acta Crystallographica Section D Biological Crystallography, Vol. 66, pp. 558–567.

By: A. Gardberg*, D. Castillo*, W. Ar*, M. Kl n, B. F*, M. Mp*, A. Da, D.

Contributors: A. Gardberg*, A. Del Castillo*, K. Weiss*, F. Meilleur n, M. Blakeley* & D. Myles*

MeSH headings : Bacterial Proteins / chemistry; Crystallography, X-Ray / methods; Neutron Diffraction / methods; Pyrococcus furiosus / chemistry; Rubredoxins / chemistry; X-Ray Diffraction / methods
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
TL;DR: The improved model obtained from joint XN refinement yielded improved electron-density maps, permitting the location of more D atoms than electron- density maps from models refined against X-ray data only. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2009 article

Characterization of image plates for neutron diffraction

Wilkinson, C., Lehmann, M. S., Meilleur, F., Blakeley, M. P., Myles, D. A. A., Vogelmeier, S., … McIntyre, G. J. (2009, July 31). Journal of Applied Crystallography, Vol. 42, pp. 749–757.

By: C. Wilkinson*, M. Lehmann*, F. Meilleur*, M. Blakeley*, D. Myles*, S. Vogelmeier*, M. Thoms*, M. Walsh*, G. McIntyre*

Contributors: C. Wilkinson*, M. Lehmann*, F. Meilleur*, M. Blakeley*, D. Myles*, S. Vogelmeier*, M. Thoms*, M. Walsh*, G. McIntyre*

topics (OpenAlex): Nuclear Physics and Applications; Radiation Detection and Scintillator Technologies; X-ray Diffraction in Crystallography
Source: ORCID
Added: June 3, 2025

2009 article

Deuterium Labeling for Neutron Structure-Function-Dynamics Analysis

Meilleur, F., Weiss, K. L., & Myles, D. A. A. (2009, January 1). Methods in Molecular Biology, Vol. 544, pp. 281–292.

By: F. Meilleur n, K. Weiss* & D. Myles*

Contributors: F. Meilleur n, K. Weiss* & D. Myles*

author keywords: Protein; Membrane; Nucleic acid; Deuterium labeling; Cell culture; Over-expression; Deuterium exchange; Crystallography; Reflectometry; Small angle scattering; Contrast variation
MeSH headings : Bacteria / metabolism; Binding Sites; Bioreactors; Crystallography; Deuterium / chemistry; Neutron Diffraction / methods; Proteins / chemistry; Recombinant Proteins / biosynthesis; Recombinant Proteins / chemistry
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Mass Spectrometry Techniques and Applications
TL;DR: Partial, selective, or fully deuteration proteins can be readily produced by endogenous expression of recombinant proteins in bacterial systems that are adapted to growth in D(2)O solution and using selectively deuterated carbon sources. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2008 journal article

Erratum to “New sources and instrumentation for neutrons in biology” [Chem. Phys. 345 (2008) 133–151]

Chemical Physics, 351(1-3), 170.

topics (OpenAlex): Atomic and Subatomic Physics Research; Nuclear Physics and Applications; Advanced NMR Techniques and Applications
Sources: Crossref, NC State University Libraries
Added: September 9, 2020

2008 article

New sources and instrumentation for neutrons in biology

Teixeira, S. C. M., Zaccai, G., Ankner, J., Bellissent-Funel, M. C., Bewley, R., Blakeley, M. P., … Weiss, K. (2008, March 5). Chemical Physics, Vol. 345, pp. 133–151.

author keywords: neutron scattering; neutron crystallography; small angle neutron scattering; reflectometry; inelastic neutron scattering; quasi-elastic neutron scattering; proteins; membranes; macromolecular structure and dynamics
topics (OpenAlex): Advanced NMR Techniques and Applications; Nuclear Physics and Applications; Enzyme Structure and Function
TL;DR: A broad and significant effort towards instrumental and methodological development to facilitate biology experiments at neutron sources worldwide is reviewed. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2008 article

New sources and instrumentation for neutrons in biology (vol 345, pg 133, 2008)

Chemical Physics, Vol. 351, pp. 170–170.

By: S. Teixeira, G. Zaccai, J. Ankner, M. Bellissent-Funel, R. Bewley, M. Blakeley, P. Callow, L. Coates ...

Source: NC State University Libraries
Added: August 6, 2018

2008 article

Preliminary neutron crystallographic analysis of selectively CH3-protonated deuterated rubredoxin fromPyrococcus furiosus

Weiss, K. L., Meilleur, F., Blakeley, M. P., Myles, D. A., & Section, F. (2008, May 24). Acta Crystallographica Section F Structural Biology and Crystallization Communications, Vol. 64, pp. 537–540.

By: K. Weiss*, F. Meilleur n, M. Blakeley*, D. Myles* & F. Section

Contributors: K. Weiss*, F. Meilleur n, M. Blakeley* & D. Myles*

MeSH headings : Amino Acid Sequence; Cysteine / chemistry; Deuterium Exchange Measurement; Escherichia coli / genetics; Hydrogen Bonding; Iron / chemistry; Molecular Sequence Data; Neutron Diffraction; Protons; Pyrococcus furiosus / chemistry; Pyrococcus furiosus / genetics; Pyrococcus furiosus / isolation & purification; Rubredoxins / chemistry; Rubredoxins / isolation & purification; Sulfur / chemistry
topics (OpenAlex): Mass Spectrometry Techniques and Applications; Enzyme Structure and Function; Nuclear Physics and Applications
TL;DR: Production, crystallization and preliminary neutron analysis of a selectively CH3-protonated deuterated PfRd sample, which provided a high-quality neutron data set that extended to 1.75 A resolution using the new LADI-III instrument at the Institut Laue-Langevin, are reported. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2008 article

Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase

Blakeley, M. P., Ruiz, F., Cachau, R., Hazemann, I., Meilleur, F., Mitschler, A., … Podjarny, A. (2008, February 5). Proceedings of the National Academy of Sciences, Vol. 105, pp. 1844–1848.

By: M. Blakeley*, F. Ruiz*, R. Cachau*, I. Hazemann*, F. Meilleur*, A. Mitschler*, S. Ginell*, P. Afonine* ...

Contributors: M. Blakeley*, F. Ruiz*, R. Cachau*, I. Hazemann*, F. Meilleur*, A. Mitschler*, S. Ginell*, P. Afonine* ...

author keywords: enzymatic mechanism; helium cooling; subatomic resolution crystallography; x-ray plus neutrons joint refinement
MeSH headings : Aldehyde Reductase / chemistry; Aldehyde Reductase / metabolism; Catalysis; Models, Molecular; Neutrons; Protons; Quantum Theory; X-Ray Diffraction / methods
topics (OpenAlex): Aldose Reductase and Taurine; Neonatal Health and Biochemistry; Heme Oxygenase-1 and Carbon Monoxide
TL;DR: Combined studies of the enzyme human aldose reductase using single-crystal x-ray data, neutron Laue data, and quantum mechanical modeling unveil the internal organization and mobility of the hydrogen bond network that defines the properties of the catalytic engine. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2007 article

Expression, purification, assay, and crystal structure of perdeuterated human arginase I

Costanzo, L. D., Moulin, M., Haertlein, M., Meilleur, F., & Christianson, D. W. (2007, May 23). Archives of Biochemistry and Biophysics, Vol. 465, pp. 82–89.

MeSH headings : Arginase / chemistry; Arginase / ultrastructure; Computer Simulation; Deuterium / chemistry; Escherichia coli / genetics; Escherichia coli / metabolism; Humans; Models, Chemical; Models, Molecular; Protein Conformation; Protein Engineering; Recombinant Proteins / chemistry; Recombinant Proteins / isolation & purification; Substrate Specificity
topics (OpenAlex): Amino Acid Enzymes and Metabolism; Adenosine and Purinergic Signaling; Cancer Research and Treatments
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2006 article

A preliminary neutron diffraction study of rasburicase, a recombinant urate oxidase enzyme, complexed with 8-azaxanthin

Budayova-Spano, M., Bonneté, F., Ferté, N., El Hajji, M., Meilleur, F., Blakeley, M. P., … Acta crystallographica. Section, F. (2006, February 28). Acta Crystallographica Section F Structural Biology and Crystallization Communications, Vol. 62, pp. 306–309.

By: M. Budayova-Spano*, F. Bonneté, N. Ferté, M. El Hajji*, F. Meilleur*, M. Blakeley*, B. Castro*, F. Section

Contributors: M. Budayova-Spano*, F. Bonneté, N. Ferté, M. El Hajji*, F. Meilleur*, M. Blakeley*, B. Castro*

MeSH headings : Binding Sites; Crystallization / methods; Deuterium Oxide; Neutron Diffraction / methods; Recombinant Proteins / chemistry; Saccharomyces cerevisiae / metabolism; Urate Oxidase / chemistry; Xanthines / chemistry
topics (OpenAlex): Porphyrin Metabolism and Disorders; Enzyme Structure and Function; Gout, Hyperuricemia, Uric Acid
TL;DR: The high quality of the neutron diffraction data collected are suitable for high-resolution structural analysis of rasburicase, which has one of the largest primitive unit-cell volumes and molecular weights so far successfully studied with neutrons. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2006 article

A quasi-Laue neutron crystallographic study of d-xylose isomerase

Meilleur, F., Snell, E. H., Woerd, M. J., Judge, R. A., & Myles, D. A. A. (2006, May 3). European Biophysics Journal, Vol. 35, pp. 601–609.

By: F. Meilleur*, E. Snell*, M. Woerd*, R. Judge* & D. Myles*

Contributors: F. Meilleur*, E. Snell*, M. Van Der Woerd*, R. Judge* & D. Myles*

MeSH headings : Aldose-Ketose Isomerases / chemistry; Aldose-Ketose Isomerases / metabolism; Binding Sites; Catalysis; Crystallography, X-Ray; Hydrogen / chemistry; Models, Chemical; Neutron Diffraction; Neutrons; Protein Binding; Streptomyces / enzymology; Xylose / metabolism
topics (OpenAlex): Diet, Metabolism, and Disease; Pancreatic function and diabetes; Enzyme Structure and Function
TL;DR: The neutron structure shows unambiguously that residue His 53 is doubly protonated at the active site of d-xylose isomerase, which suggests that the reaction proceeds through an acid catalyzed opening of the sugar ring, which is in accord with the mechanism suggested by Fenn et al. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2006 article

Comparison of hydrogen determination with X-ray and neutron crystallography in a human aldose reductase–inhibitor complex

Blakeley, M. P., Mitschler, A., Hazemann, I., Meilleur, F., Myles, D. A. A., & Podjarny, A. (2006, April 18). European Biophysics Journal, Vol. 35, pp. 577–583.

By: M. Blakeley*, A. Mitschler*, I. Hazemann*, F. Meilleur*, D. Myles* & A. Podjarny*

Contributors: M. Blakeley*, A. Mitschler*, I. Hazemann*, F. Meilleur*, D. Myles* & A. Podjarny*

MeSH headings : Aldehyde Reductase / antagonists & inhibitors; Aldehyde Reductase / chemistry; Aldehyde Reductase / metabolism; Binding Sites; Crystallization; Crystallography, X-Ray; Deuterium / chemistry; Humans; Hydrogen / chemistry; Hydrogen Bonding; Models, Molecular; Molecular Structure; NADP / metabolism; Neutron Diffraction; Protein Conformation; Protons
topics (OpenAlex): Neonatal Health and Biochemistry; Aldose Reductase and Taurine; Ion Transport and Channel Regulation
TL;DR: Both studies enable the determination of protonation states, with a clear advantage for neutrons in the case of less-ordered atoms (B > 5 Å2). (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2006 article

Neutron Laue macromolecular crystallography

Meilleur, F., Myles, D. A. A., & Blakeley, M. P. (2006, August 2). European Biophysics Journal, Vol. 35, pp. 611–620.

By: F. Meilleur*, D. Myles* & M. Blakeley*

Contributors: F. Meilleur*, D. Myles* & M. Blakeley*

MeSH headings : Crystallography / trends; Deuterium / chemistry; Forecasting; Hydrogen Bonding; Macromolecular Substances / chemistry; Models, Molecular; Neutron Diffraction; Neutrons
topics (OpenAlex): Enzyme Structure and Function; Nuclear Physics and Applications; Boron Compounds in Chemistry
TL;DR: Improvements in modern molecular biology now allow fully (per)deuterated protein samples to be produced for neutron scattering that essentially eradicate the large—and ultimately limiting—hydrogen incoherent scattering background that has hampered such studies in the past. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2006 article

Optimizing crystal volume for neutron diffraction: D-xylose isomerase

Snell, E. H., Woerd, M. J., Damon, M., Judge, R. A., Myles, D. A. A., & Meilleur, F. (2006, May 24). European Biophysics Journal, Vol. 35, pp. 621–632.

By: E. Snell*, M. Woerd*, M. Damon*, R. Judge*, D. Myles* & F. Meilleur*

Contributors: E. Snell*, M. Van Der Woerd*, M. Damon*, R. Judge*, D. Myles* & F. Meilleur*

MeSH headings : Aldose-Ketose Isomerases / chemistry; Aldose-Ketose Isomerases / metabolism; Binding Sites; Catalysis; Crystallization; Hydrogen / chemistry; Models, Chemical; Neutron Diffraction; Neutrons; Protein Binding; Streptomyces / enzymology; Xylose / metabolism
topics (OpenAlex): Enzyme Structure and Function; Protein Structure and Dynamics; Diet, Metabolism, and Disease
Source: ORCID
Added: June 3, 2025

2005 article

Advances in detectors for single crystal neutron diffraction

Buffet, J. C., Clergeau, J. F., Cooper, R. G., Darpentigny, J., Laulany, A. D., Fermon, C., … Zeitelhack, K. (2005, August 26). Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment, Vol. 554, pp. 392–405.

By: J. Buffet*, J. Clergeau*, R. Cooper*, J. Darpentigny*, A. Laulany*, C. Fermon*, S. Fetal, F. Fraga ...

Contributors: J. Buffet*, J. Clergeau*, R. Cooper*, J. Darpentigny*, A. De Laulany*, C. Fermon*, S. Fetal, F. Fraga ...

topics (OpenAlex): Particle Detector Development and Performance; Nuclear Physics and Applications; Radiation Detection and Scintillator Technologies
Source: ORCID
Added: June 3, 2025

2005 article

High-resolution neutron protein crystallography with radically small crystal volumes: application of perdeuteration to human aldose reductase

Hazemann, I., Dauvergne, M. T., Blakeley, M. P., Meilleur, F., Haertlein, M., Van Dorsselaer, A., … Acta crystallographica. Section, D. (2005, September 28). Acta Crystallographica Section D Biological Crystallography, Vol. 61, pp. 1413–1417.

By: I. Hazemann*, M. Dauvergne*, M. Blakeley*, F. Meilleur*, M. Haertlein, A. Van Dorsselaer*, A. Mitschler*, D. Myles*, A. Podjarny*, D. Section

Contributors: I. Hazemann*, M. Dauvergne*, M. Blakeley*, F. Meilleur*, M. Haertlein, A. Van Dorsselaer*, A. Mitschler*, D. Myles*, A. Podjarny*

MeSH headings : Aldehyde Reductase / chemistry; Binding Sites; Crystallization; Crystallography; Crystallography, X-Ray / methods; Humans; Hydrogen Bonding; Models, Molecular; Molecular Conformation; Molecular Structure; Neutron Diffraction; Neutrons; Protein Conformation; Protons; Spectrometry, Mass, Electrospray Ionization
topics (OpenAlex): Aldose Reductase and Taurine; Neonatal Health and Biochemistry; Metabolism and Genetic Disorders
TL;DR: This is the first fully deuterated enzyme of this size to be solved by neutron diffraction and represents a milestone in the field, as the crystal volume is at least one order of magnitude smaller than those usually required for other high-resolution neutron structures determined to date. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2005 article

Preliminary neutron diffraction studies ofEscherichia colidihydrofolate reductase bound to the anticancer drug methotrexate

Bennett, B. C., Meilleur, F., Myles, D. A. A., Howell, E. E., & Dealwis, C. G. (2005, April 20). Acta Crystallographica Section D Biological Crystallography, Vol. 61, pp. 574–579.

Contributors: B. Bennett*, F. Meilleur*, D. Myles*, E. Howell* & C. Dealwis*

MeSH headings : Antimetabolites, Antineoplastic / chemistry; Antimetabolites, Antineoplastic / metabolism; Crystallization; Deuterium Oxide / chemistry; Escherichia coli / enzymology; Folic Acid Antagonists / chemistry; Folic Acid Antagonists / metabolism; Hydrogen / chemistry; Methotrexate / chemistry; Methotrexate / metabolism; Neutron Diffraction; Plasmids / genetics; Protein Binding; Tetrahydrofolate Dehydrogenase / chemistry; Tetrahydrofolate Dehydrogenase / metabolism
topics (OpenAlex): Enzyme Structure and Function; Biochemical and Molecular Research; Protein Structure and Dynamics
TL;DR: To better understand the catalytic mechanism of Escherichia coli dihydrofolate reductase (ecDHFR), a neutron diffraction study is under way to directly determine the accurate positions of H atoms within its active site. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2005 article

Production and X-ray crystallographic analysis of fully deuterated cytochrome P450cam

Meilleur, F., Dauvergne, M.-T., Schlichting, I., & Myles, D. A. A. (2005, April 20). Acta Crystallographica Section D Biological Crystallography, Vol. 61, pp. 539–544.

By: F. Meilleur*, M. Dauvergne*, I. Schlichting* & D. Myles*

Contributors: F. Meilleur*, M. Dauvergne*, I. Schlichting* & D. Myles*

MeSH headings : Camphor 5-Monooxygenase / biosynthesis; Camphor 5-Monooxygenase / chemistry; Camphor 5-Monooxygenase / genetics; Crystallization; Crystallography, X-Ray; Deuterium; Escherichia coli / chemistry; Hydrogen / chemistry; Isotope Labeling; Models, Molecular; Neutrons; Protein Conformation; Pseudomonas putida / enzymology; Water / chemistry
topics (OpenAlex): Mass Spectrometry Techniques and Applications; Enzyme Structure and Function; Chemical Reactions and Isotopes
TL;DR: This work demonstrates that the fully deuterated protein is highly isomorphous with the native (hydrogenated) protein and is appropriate for neutron protein crystallographic analysis. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2004 article

Structural Stability and Dynamics of Hydrogenated and Perdeuterated Cytochrome P450cam (CYP101)

Meilleur, F., Contzen, J., Myles, D. A. A., & Jung, C. (2004, June 18). Biochemistry, Vol. 43, pp. 8744–8753.

By: F. Meilleur*, J. Contzen*, D. Myles* & C. Jung*

Contributors: F. Meilleur*, J. Contzen*, D. Myles* & C. Jung*

MeSH headings : Binding Sites; Camphor 5-Monooxygenase / chemistry; Camphor 5-Monooxygenase / genetics; Camphor 5-Monooxygenase / metabolism; Carbon Monoxide / metabolism; Deuterium / chemistry; Enzyme Stability; Hydrogen / chemistry; Kinetics; Phase Transition; Photolysis; Point Mutation / genetics; Protein Denaturation; Protein Folding; Protein Structure, Secondary; Pseudomonas putida / enzymology; Pseudomonas putida / genetics; Spectroscopy, Fourier Transform Infrared; Temperature
topics (OpenAlex): Pharmacogenetics and Drug Metabolism; Analytical Chemistry and Chromatography; Mass Spectrometry Techniques and Applications
TL;DR: The analyses presented here show that perdeuterated P450cam is structurally similar to its hydrogenated counterpart, despite its reduced thermal stability, suggesting that information obtained from the neutron structure will be representative of the normal hydrogenated P 450cam. (via Semantic Scholar)
Source: ORCID
Added: January 6, 2020

2001 article

Interplay of Intrinsic and Environmental Effects on the Magnetic Properties of Free Radicals Issuing from H-Atom Addition to Cytosine

Adamo, C., Heitzmann, M., Meilleur, F., Rega, N., Scalmani, G., Grand, A., … Barone, V. (2001, June 30). Journal of the American Chemical Society, Vol. 123, pp. 7113–7117.

Contributors: C. Adamo*, M. Heitzmann*, F. Meilleur*, N. Rega*, G. Scalmani*, A. Grand*, J. Cadet*, V. Barone*

MeSH headings : Cytosine / chemistry; Free Radicals / chemistry; Hydrogen Bonding; Magnetics; Models, Molecular; Protons; Quantum Theory; Water / chemistry
topics (OpenAlex): DNA and Nucleic Acid Chemistry; Ammonia Synthesis and Nitrogen Reduction; Molecular Junctions and Nanostructures
TL;DR: The hyperfine couplings of the semirigid 5,6-dihydrocytos-6yl radical computed at the optimized geometry are in good agreement with their experimental counterparts, and proper consideration of environmental effects restores the agreement between computed and experimental couplings for the base anion protonated at N3. (via Semantic Scholar)
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Source: ORCID
Added: January 6, 2020

Employment

Updated: December 20th, 2024 10:12

2023 - present

North Carolina State University Raleigh, US
Professor Molecular and Structural Biochemistry

2007 - present

Oak Ridge National Laboratory Oak Ridge, TN, US
Instrument Scientist - Macromolecular Crystallography Neutron Sciences Directorate

2015 - 2023

NC State University Raleigh, NC, US
Associate Professor Molecular and Structural Biochemistry

2007 - 2015

North Carolina State University Raleigh, NC, US
Assistant Professor Molecular and Structural Biochemistry

2004 - 2006

Institut Laue-Langevin Grenoble, Rhône-Alpes, FR

Education

Updated: September 24th, 2018 14:14

2000 - 2004

Université Grenoble Alpes Saint-Martin-d'Heres, Rhône-Alpes, FR
Ph. D.

2000 - 2004

European Molecular Biology Laboratory Grenoble, FR
Ph. D.

Funding History

Funding history based on the linked ORCID record. Updated: March 15th, 2017 14:23

grant September 1, 2011 - August 31, 2017
IGERT: Neutron Scattering for the Science and Engineering of the 21st Century
National Science Foundation - Directorate for Education and Human Resources
grant August 1, 2009 - July 31, 2013
MRI: Acquisition of a Neutron Single Crystal Diffractometer
National Science Foundation - Directorate for Mathematical & Physical Sciences

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