Yaroslava G Yingling
computational materials science, soft materials, nanomaterials, biomimetics, materials informatics, Data science, convergence informatics
Works (170)
2026 article
A Comprehensive Dataset and Workflow for Building Large-Scale, Highly Oxidized Graphene Oxide Models
Fedai, M., Kwansa, A. L., & Yingling, Y. G. (2026, January 13). Data, Vol. 1.
open access via doi.org (publisher)2025 article
A Comprehensive Dataset and Workflow for Building Large-Scale, Highly Oxidized Graphene Oxide Models
Fedai, M., Kwansa, A. L., & Yingling, Y. G. (2025, December 11). Preprints.org.
2025 article
Advances in biomimetic carbonic anhydrase strategies for CO2 capture
Fedai, M., Shen, J., Bognár, Z., Kwansa, A. L., Grunden, A., Helveg, S., … Yingling, Y. G. (2025, July 2). Trends in Biotechnology.
2025 article
Agglomeration of Nanoparticles Inhibits Solvent‐Driven Ligand Stripping
Mahmood, A. U., Rizvi, M. H., Tracy, J. B., & Yingling, Y. G. (2025, July 6). Advanced Materials Interfaces, Vol. 7.
2025 article
Cloud-based molecular dynamics simulations with AMBER: An interactive “collabortutorial” via Google Colab
Fedai, M., Kwansa, A. L., & Yingling, Y. (2025, January 1). SSRN Electronic Journal, Vol. 1.
2025 article
Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case
Mudunuri, S., Carbonneau, L., Roberts, E. M., Roberts, A. W., Haigler, C. H., Gulyuk, A. V., & Yingling, Y. G. (2025, October 28). Advanced Intelligent Discovery.
2025 article
DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix
Choi, J., Kwansa, A. L., Chae, I., Yingling, Y. G., & Kim, S. H. (2025, June 10). The Journal of Physical Chemistry B, Vol. 6.
2025 article
Data integration and data fusion approaches in self-driving labs: A perspective
Gulyuk, A. V., Zaid, N. A., Chirkova, R., & Yingling, Y. G. (2025, October 29). APL Machine Learning.
2025 article
Design and Characterization of DNA-Driven Condensates: Regulating Topology, Mechanical Properties, and Immunorecognition
Skelly, E., Bayard, C. J., Jarusek, J., Clark, B., Rebolledo, L. P., Radwan, Y., … Afonin, K. A. (2025, April 1). ACS Applied Materials & Interfaces, Vol. 4.
2025 article
Editorial: Recent advancements in RNA technologies, diagnostics, and therapeutics
Stewart, J. M., Yingling, Y. G., Afonin, K. A., Hubé, F., & Kataoka, N. (2025, February 4). Frontiers in Bioengineering and Biotechnology, Vol. 13.
2025 article
Empirical evidence that glucan-interacting amino acid side chains within the transmembrane channel collectively facilitate cellulose synthase function
Kwansa, A. L., Chaves, A. M., Mundo, J. T. D., Pierce, E. T., Gomez, E. W., Gomez, E. D., … Roberts, A. W. (2025, July 9). Plant Molecular Biology, Vol. 115.
2025 article
Functional Hydrogels for Selective Phosphate Removal from Water and Release on Demand
Xu, J., Efimenko, K., Gorman, C. B., Yingling, Y. G., Castellano, L., & Genzer, J. (2025, June 3). Langmuir, Vol. 6.
2025 article
Oxidation and laser synthesis of Ni nanoparticles: an atomistic analysis
Toulil, A., Kachan, E., Yingling, Y. G., & Itina, T. E. (2025, October 28). Applied Physics A.
2024 article
Bulk proton conduction in films from a truncated reflectin variant
Pratakshya, P., Kwansa, A. L., Kovačič, M., Kaimal, N., Panteleev, A., Chatterjee, A., … Gorodetsky, A. A. (2024, October 1). APL Materials, Vol. 12.
2024 article
Electrostatic self-assembly yields a structurally stabilized PEDOT:PSS with efficient mixed transport and high-performance OECTs
Taussig, L., Ghasemi, M., Han, S., Kwansa, A. L., Li, R., Keene, S. T., … Amassian, A. (2024, January 16). Matter, Vol. 7.
2024 article
Machine Learning and Small Data-Guided Optimization of Silica Shell Morphology on Gold Nanorods
Mahmood, A. U., Ghelardini, M. M., Tracy, J. B., & Yingling, Y. G. (2024, August 22). Chemistry of Materials, Vol. 8.
2024 article
Monomer Architecture as a Mechanism to Control the Self-Assembly of Oligomeric Diblock Peptide-Polymer Amphiphiles
Allen, B., Pinky, S., Beard, E., Calzadilla, N., Gringeri, A., Sanders, M., … Yingling, Y. (2024, April 8).
2024 article
Monomer Architecture as a Mechanism to Control the Self-Assembly of Oligomeric Diblock Peptide-Polymer Amphiphiles
Allen, B., Pinky, S., Beard, E., Gringeri, A., Calzadilla, N., Sanders, M., … Knight, A. (2024, April 8).
2024 article
Monomer Composition as a Mechanism to Control the Self-Assembly of Diblock Oligomeric Peptide–Polymer Amphiphiles
Allen, B. P., Pinky, S. K., Beard, E. E., Gringeri, A. A., Calzadilla, N., Sanders, M. A., … Knight, A. S. (2024, September 17). ACS Nano, Vol. 9.
2024 article
Multiple Data Imputation Methods Advance Risk Analysis and Treatability of Co-occurring Inorganic Chemicals in Groundwater
Mahmood, A. U., Islam, M., Gulyuk, A. V., Briese, E., Velasco, C. A., Malu, M., … Westerhoff, P. (2024, November 7). Environmental Science & Technology, Vol. 11.
2024 article
Phosphate-binding protein-loaded iron oxide particles: adsorption performance for phosphorus removal and recovery from water
Hussein, F. B., Cannon, A. H., Hutchison, J. M., Gorman, C. B., Yingling, Y. G., & Mayer, B. K. (2024, January 1). Environmental Science Water Research & Technology, Vol. 3.
2024 article
Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods
Kwansa, A. L., Singh, A., Williams, J. T., Haigler, C. H., Roberts, A. W., & Yingling, Y. G. (2024, January 6). Cellulose, Vol. 1.
2023 article
Correlation of Emulsion Chemistry, Film Morphology, and Device Performance in Polyfluorene LEDs Deposited by RIR-MAPLE
Zhang, B., Pinky, S. K., Kwansa, A. L., Ferguson, S., Yingling, Y. G., & Stiff-Roberts, A. D. (2023, March 29). ACS Applied Materials & Interfaces, Vol. 3.
2023 article
DFT-Based Calculation of Molecular Hyperpolarizability and SFG Intensity of Symmetric and Asymmetric Stretch Modes of Alkyl Groups
Choi, J., Kwansa, A. L., Yingling, Y. G., & Kim, S. H. (2023, September 25). The Journal of Physical Chemistry B, Vol. 127, pp. 8456–8467.
2023 article
Effect of solvent on the emulsion and morphology of polyfluorene films: all-atom molecular dynamics approach
Pinky, S. K., Kwansa, A. L., Zhang, B., Stiff-Roberts, A. D., & Yingling, Y. G. (2023, January 1). Soft Matter, Vol. 2.
2023 article
Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8
Verma, P., Kwansa, A. L., Ho, R., Yingling, Y. G., & Zimmer, J. (2023, August 11). Structure, Vol. 31, pp. 1166-+.
2023 article
Molecular Mechanism of Plasticizer Exudation from Polyvinyl Chloride
Kwansa, A. L., Pani, R. C., DeLoach, J. A., Tieppo, A., Moskala, E. J., Perri, S. T., & Yingling, Y. G. (2023, June 22). Macromolecules, Vol. 6.
2023 article
Resolving Structure of ssDNA in Solution by Fusing Molecular Simulations and Scattering Experiments with Machine Learning
Oweida, T. J., & Yingling, Y. G. (2023, September 7). Advanced Theory and Simulations, Vol. 9.
2023 article
Role of Nanoscale Morphology on the Efficiency of Solvent-Based Desalination Method
Peerless, J. S., Gulyuk, A. V., Milliken, N. J. B., Kim, G. D., Reid, E., Lee, J. W., … Yingling, Y. G. (2023, January 25). ACS ES&T Water, Vol. 1.
2023 article
Solvent Effects in Ligand Stripping Behavior of Colloidal Nanoparticles
Mahmood, A. U., Rizvi, M. H., Tracy, J. B., & Yingling, Y. G. (2023, June 13). ACS Nano, Vol. 6.
2023 article
Squid Skin Cell-Inspired Refractive Index Mapping of Cells, Vesicles, and Nanostructures
Chatterjee, A., Pratakshya, P., Kwansa, A. L., Kaimal, N., Cannon, A. H., Sartori, B., … Gorodetsky, A. A. (2023, January 24). ACS Biomaterials Science & Engineering, Vol. 1.
2022 article
A Comparison between the Lower Critical Solution Temperature Behavior of Polymers and Biomacromolecules
Xie, Y., Li, N. K., Singh, A., Deshmukh, S. A., & Yingling, Y. G. (2022, March 18). Physchem.
2022 article
All-Atom Simulation Method for Zeeman Alignment and Dipolar Assembly of Magnetic Nanoparticles
Mahmood, A. U., & Yingling, Y. G. (2022, March 10). Journal of Chemical Theory and Computation, Vol. 3.
2022 article
Evidence for Plant-Conserved Region Mediated Trimeric CESAs in Plant Cellulose Synthase Complexes
Du, J., Vandavasi, V. G., Molloy, K. R., Yang, H., Massenburg, L. N., Singh, A., … Nixon, B. T. (2022, August 10). Biomacromolecules, Vol. 8.
2022 article
Gold nanoparticle design for RNA compaction
Nash, J. A., Manning, M. D., Gulyuk, A. V., Kuznetsov, A. E., & Yingling, Y. G. (2022, November 1). Biointerphases, Vol. 17.
2022 article
Mapping the Morphological Landscape of Oligomeric Di‐block Peptide–Polymer Amphiphiles**
Allen, B. P., Wright, Z. M., Taylor, H. F., Oweida, T. J., Kader‐Pinky, S., Patteson, E. F., … Knight, A. S. (2022, January 17). Angewandte Chemie International Edition, Vol. 1.
2022 article
Mapping the Morphological Landscape of Oligomeric Di‐block Peptide–Polymer Amphiphiles**
Allen, B. P., Wright, Z. M., Taylor, H. F., Oweida, T. J., Kader‐Pinky, S., Patteson, E. F., … Knight, A. S. (2022, January 17). Angewandte Chemie.
2021 article
Assessment of AMBER Force Fields for Simulations of ssDNA
Oweida, T. J., Kim, H. S., Donald, J. M., Singh, A., & Yingling, Y. G. (2021, January 12). Journal of Chemical Theory and Computation, Vol. 17, pp. 1208–1217.
2021 article
Controlled Organization of Inorganic Materials Using Biological Molecules for Activating Therapeutic Functionalities
Chandler, M., Minevich, B., Roark, B., Viard, M., Johnson, M. B., Rizvi, M. H., … Afonin, K. A. (2021, August 17). ACS Applied Materials & Interfaces, Vol. 8, pp. 39030–39041.
2021 chapter
Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution
In E. Maginn & J. Errington (Eds.), Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2018 (pp. 75–100).
Ed(s): E. Maginn & J. Errington
2021 article
Insights into Structure and Aggregation Behavior of Elastin-like Polypeptide Coacervates: All-Atom Molecular Dynamics Simulations
Li, N. K., Xie, Y., & Yingling, Y. G. (2021, July 21). The Journal of Physical Chemistry B, Vol. 8.
2021 article
Phenotypic effects of changes in the FTVTxK region of an Arabidopsis secondary wall cellulose synthase compared with results from analogous mutations in other isoforms
Burris, J. N., Makarem, M., Slabaugh, E., Chaves, A., Pierce, E. T., Lee, J., … Haigler, C. H. (2021, August 1). Plant Direct, Vol. 5.
2021 article
Uncertainty Quantification and Sensitivity Analysis of Partial Charges on Macroscopic Solvent Properties in Molecular Dynamics Simulations with a Machine Learning Model
Peerless, J. S., Kwansa, A. L., Hawkins, B. S., Smith, R. C., & Yingling, Y. G. (2021, March 17). Journal of Chemical Information and Modeling, Vol. 61, pp. 1745–1761.
2021 article
Weakly Ionically Bound Thermosensitive Hyperbranched Polymers
Lee, H., Stryutsky, A., Mahmood, A.-U., Singh, A., Shevchenko, V. V., Yingling, Y. G., & Tsukruk, V. V. (2021, February 23). Langmuir, Vol. 37, pp. 2913–2927.
2020 article
Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially‐Aligned Rod‐Shaped Cellulose Nanocrystals
Chae, I., Ngo, D., Chen, Z., Kwansa, A. L., Chen, X., Meddeb, A. B., … Kim, S. H. (2020, March 16). Advanced Materials Interfaces, Vol. 7.
2020 article
Co-assembling Polysaccharide Nanocrystals and Nanofibers for Robust Chiral Iridescent Films
Xiong, R., Singh, A., Yu, S., Zhang, S., Lee, H., Yingling, Y. G., … Tsukruk, V. V. (2020, July 9). ACS Applied Materials & Interfaces, Vol. 12, pp. 35345–35353.
2020 article
Effect of Octadecylamine Surfactant on DNA Interactions with Graphene Surfaces
Kim, H. S., Brown, N. A., Zauscher, S., & Yingling, Y. G. (2020, January 9). Langmuir, Vol. 36, pp. 931–938.
2020 journal article
In silico structure prediction of full-length cotton cellulose synthase protein (GhCESA1) and its hierarchical complexes
Cellulose, 27(10), 5597–5616.
2020 journal article
Materials matter in phosphorus sustainability
MRS Bulletin, 45(1), 7–10.
2020 article
Merging Materials and Data Science: Opportunities, Challenges, and Education in Materials Informatics
Oweida, T. J., Mahmood, A., Manning, M. D., Rigin, S., & Yingling, Y. G. (2020, February 1). MRS Advances, Vol. 3, pp. 1–18.
2020 article
Partially Fluorinated Copolymers as Oxygen Sensitive 19F MRI Agents
Taylor, N. G., Chung, S. H., Kwansa, A. L., Johnson, R. R., Teator, A. J., Milliken, N. J. B., … Leibfarth, F. A. (2020, May 28). Chemistry - A European Journal.
2020 article
Structure, self-assembly, and properties of a truncated reflectin variant
Umerani, M. J., Pratakshya, P., Chatterjee, A., Sanchez, J. A. C., Kim, H. S., Ilc, G., … Gorodetsky, A. A. (2020, December 15). Proceedings of the National Academy of Sciences, Vol. 117, pp. 32891–32901.
2019 journal article
Biochemical and physiological flexibility accompanies reduced cellulose biosynthesis in Brachypodium cesa1S830N
AoB PLANTS, 11(5).
Ed(s): P. Jameson
2019 journal article
High-Performance Chromatographic Characterization of Surface Chemical Heterogeneities of Fluorescent Organic–Inorganic Hybrid Core–Shell Silica Nanoparticles
ACS Nano, 13(2), 1795–1804.
Contributors: T. Gardinier *, F. Kohle *, J. Peerless n, K. Ma *, M. Turker *, J. Hinckley *, n , U. Wiesner *
2019 journal article
Intrinsically disordered proteins access a range of hysteretic phase separation behaviors
Science Advances, 5(10), eaax5177.
Contributors: F. Quiroz *, N. Li n, S. Roberts *, P. Weber *, M. Dzuricky *, I. Weitzhandler *, n , A. Chilkoti *
2019 journal article
Simulations of Cellulose Synthesis Initiation and Termination in Bacteria
The Journal of Physical Chemistry B, 123(17), 3699–3705.
Contributors: H. Yang *, J. McManus*, D. Oehme *, A. Singh n, n , M. Tien *, J. Kubicki *
2018 journal article
Bathophenanthroline Disulfonate Ligand-Induced Self-Assembly of Ir(III) Complexes in Water: An Intriguing Class of Photoluminescent Soft Materials
ACS Omega, 3(10), 14027–14038.
Contributors: M. McGoorty n, A. Singh n, T. Deaton n, B. Peterson n, C. Taliaferro n, n , F. Castellano n
2018 article
Cellulose synthase ‘class specific regions’ are intrinsically disordered and functionally undifferentiated
Scavuzzo‐Duggan, T. R., Chaves, A. M., Singh, A., Sethaphong, L., Slabaugh, E., Yingling, Y. G., … Roberts, A. W. (2018, January 30). Journal of Integrative Plant Biology, Vol. 1, pp. 481–497.
Contributors: T. Scavuzzo-Duggan *, A. Chaves *, A. Singh n, L. Sethaphong n, E. Slabaugh n, n , C. Haigler n , A. Roberts *
2018 journal article
Design of Histone-Mimic Nanoparticles for DNA and RNA Compaction using Molecular Modeling
Biophysical Journal, 114(3), 362a.
2018 journal article
Enzymatic Synthesis of Nucleobase-Modified Single-Stranded DNA Offers Tunable Resistance to Nuclease Degradation
Biomacromolecules, 19(8), 3525–3535.
Contributors: R. Gu *, T. Oweida n, n , A. Chilkoti * & S. Zauscher *
2018 journal article
Progress in ligand design for monolayer-protected nanoparticles for nanobio interfaces
Biointerphases, 13(6), 06D502.
Contributors: M. Manning n, A. Kwansa n, T. Oweida n, J. Peerless n, A. Singh n & n
2018 journal article
Sequence Directionality Dramatically Affects LCST Behavior of Elastin-Like Polypeptides
Biomacromolecules, 19(7), 2496–2505.
Contributors: N. Li n, S. Roberts *, F. Quiroz *, A. Chilkoti * & n
2018 journal article
Soft Matter Informatics: Current Progress and Challenges
Advanced Theory and Simulations, 2(1), 1800129.
2018 journal article
Wrapping Nanocellulose Nets around Graphene Oxide Sheets
Angewandte Chemie International Edition, 57(28), 8508–8513.
Contributors: R. Xiong *, H. Kim n, L. Zhang *, V. Korolovych *, S. Zhang *, n , V. Tsukruk *
2017 journal article
Effect of C 60 adducts on the dynamic structure of aromatic solvation shells
Chemical Physics Letters, 678, 79–84.
Contributors: J. Peerless n, G. Bowers n, A. Kwansa n & n
2017 journal article
Effect of Graphene Oxidation Rate on Adsorption of Poly-Thymine Single Stranded DNA
Advanced Materials Interfaces, 4(8), 1601168.
2017 journal article
Functional Modification of Silica through Enhanced Adsorption of Elastin-Like Polypeptide Block Copolymers
Biomacromolecules, 19(2), 298–306.
2017 journal article
Interfacial Mechanical Properties of Graphene on Self-Assembled Monolayers: Experiments and Simulations
ACS Applied Materials & Interfaces, 9(11), 10203–10213.
Contributors: Q. Tu *, H. Kim n, T. Oweida n, Z. Parlak*, n & S. Zauscher *
2017 journal article
Interfacial stability of graphene-based surfaces in water and organic solvents
Journal of Materials Science, 53(8), 5766–5776.
Contributors: n , T. Oweida n & H. Kim n
2017 article
Macromol. Rapid Commun. 20/2017
Li, N. K., Kuang, H., Fuss, W. H., Zauscher, S., Kokkoli, E., & Yingling, Y. G. (2017, October 1). Macromolecular Rapid Communications, Vol. 38.
2017 journal article
Physisorption: Effect of Graphene Oxidation Rate on Adsorption of Poly-Thymine Single Stranded DNA (Adv. Mater. Interfaces 8/2017)
Advanced Materials Interfaces, 4(8).
2017 journal article
Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length
Macromolecular Rapid Communications, 38(20), 1700422.
Contributors: N. Li n, H. Kuang *, W. Fuss n, S. Zauscher *, E. Kokkoli * & n
2017 journal article
Template-Guided Assembly of Silk Fibroin on Cellulose Nanofibers for Robust Nanostructures with Ultrafast Water Transport
ACS Nano, 11(12), 12008–12019.
Contributors: R. Xiong *, H. Kim n, S. Zhang *, S. Kim *, V. Korolovych *, R. Ma *, n , C. Lu *, V. Tsukruk *
2016 article
Advances in Molecular Modeling of Nanoparticle–Nucleic Acid Interfaces
Nash, J. A., Kwansa, A. L., Peerless, J. S., Kim, H. S., & Yingling, Y. G. (2016, October 24). Bioconjugate Chemistry, Vol. 28, pp. 3–10.
Contributors: J. Nash n, A. Kwansa n, J. Peerless n, H. Kim n & n
2016 article
Binding of single stranded nucleic acids to cationic ligand functionalized gold nanoparticles
Nash, J. A., Tucker, T. L., Therriault, W., & Yingling, Y. G. (2016, November 11). Biointerphases, Vol. 11.
Contributors: n , W. Therriault n, T. Tucker n & J. Nash n
2016 journal article
Bionanocomposites: Silk Fibroin-Substrate Interactions at Heterogeneous Nanocomposite Interfaces (Adv. Funct. Mater. 35/2016)
Advanced Functional Materials, 26(35), 6496–6496.
2016 journal article
Comparative Structural and Computational Analysis Supports Eighteen Cellulose Synthases in the Plant Cellulose Synthesis Complex
Scientific Reports, 6(1), 28696.
Contributors: B. Nixon *, K. Mansouri n, A. Singh n, J. Du *, J. Davis n, J. Lee n, E. Slabaugh n, V. Vandavasi *
2016 article
Design of Potent and Controllable Anticoagulants Using DNA Aptamers and Nanostructures
Rangnekar, A., Nash, J. A., Goodfred, B., Yingling, Y. G., & LaBean, T. H. (2016, February 6). Molecules, Vol. 21, p. 202.
Contributors: A. Rangnekar n, J. Nash n, B. Goodfred n, n & T. LaBean n
2016 article
Emulsion-Based RIR-MAPLE Deposition of Conjugated Polymers: Primary Solvent Effect and Its Implications on Organic Solar Cell Performance
Ge, W., Li, N. K., McCormick, R. D., Lichtenberg, E., Yingling, Y. G., & Stiff-Roberts, A. D. (2016, July 14). ACS Applied Materials & Interfaces, Vol. 8, pp. 19494–19506.
Contributors: A. Stiff-Roberts *, n , E. Lichtenberg*, R. McCormick *, N. Li n & W. Ge *
2016 journal article
Fluorescence Blinking as an Output Signal for Biosensing
ACS Sensors, 1(11), 1295–1300.
Contributors: K. Afonin *, M. Jones *, n , K. Wustholz *, S. Talic*, M. Viard *, S. Jawahar*, H. Kim n
2016 article
Molecular Dynamics Simulations of Nano-biomaterials
Pasquinelli, M. A., & Yingling, Y. G. (2016, January 1). Encyclopedia of Nanotechnology, pp. 2260–2269.
2016 journal article
Sequence dependent interaction of single stranded DNA with graphitic flakes: atomistic molecular dynamics simulations
MRS Advances, 1(25), 1883–1889.
Contributors: n , S. Huang n & H. Kim n
2016 article
Silk Fibroin–Substrate Interactions at Heterogeneous Nanocomposite Interfaces
Grant, A. M., Kim, H. S., Dupnock, T. L., Hu, K., Yingling, Y. G., & Tsukruk, V. V. (2016, July 14). Advanced Functional Materials, Vol. 7, pp. 6380–6392.
Contributors: A. Grant*, H. Kim n, T. Dupnock n, K. Hu *, n & V. Tsukruk *
2016 journal article
The effect of imidazolium cations on the structure and activity of the Candida antarctica Lipase B enzyme in ionic liquids
Physical Chemistry Chemical Physics, 18(32), 22062–22069.
2016 journal article
When in silico meets in vitro: Molecular basis of function of an anion-permeable efflux transporter from barley (Hordeum vulgare L.)
Abstracts of Papers of the American Chemical Society. https://publons.com/wos-op/publon/382040/
2015 journal article
A Barley Efflux Transporter Operates in a Na+-Dependent Manner, as Revealed by a Multidisciplinary Platform
Plant Cell, 28(1), 202–218.
Contributors: Y. Nagarajan*, J. Rongala*, S. Luang*, A. Singh n, N. Shadiac*, J. Hayes *, T. Sutton *, M. Gilliham *
2015 journal article
CELLULOSE SYNTHASE INTERACTIVE1 Is Required for Fast Recycling of Cellulose Synthase Complexes to the Plasma Membrane in Arabidopsis
The Plant Cell, 27(10), tpc.15.00442.
2015 article
Characterization of Nucleic Acid Compaction with Histone-Mimic Nanoparticles through All-Atom Molecular Dynamics
Nash, J. A., Singh, A., Li, N. K., & Yingling, Y. G. (2015, November 2). ACS Nano, Vol. 9, pp. 12374–12382.
2015 journal article
Cover Picture: Macromol. Theory Simul. 1∕2015
Macromolecular Theory and Simulations, 24(1), 1–1.
2015 journal article
Effect of NP shape and ligand flexibility in the design of nucleic acid wrapping NPs
Abstracts of Papers of the American Chemical Society. https://publons.com/wos-op/publon/28057470/
2015 journal article
Effect of surface polarity on physisorption of biomolecules: Molecular modeling
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057471/
2015 article
Fullerenes in Aromatic Solvents: Correlation between Solvation-Shell Structure, Solvate Formation, and Solubility
Peerless, J. S., Bowers, G. H., Kwansa, A. L., & Yingling, Y. G. (2015, November 11). The Journal of Physical Chemistry B, Vol. 119, pp. 15344–15352.
Contributors: n , A. Kwansa n, G. Bowers n & J. Peerless n
2015 journal article
Gold nanoparticle-nucleic acid modeling using GPU-accelerated molecular dynamics
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057466/
2015 article
How Cellulose Elongates—A QM/MM Study of the Molecular Mechanism of Cellulose Polymerization in Bacterial CESA
Yang, H., Zimmer, J., Yingling, Y. G., & Kubicki, J. D. (2015, May 5). The Journal of Physical Chemistry B, Vol. 119, pp. 6525–6535.
Contributors: J. Kubicki *, n , J. Zimmer * & H. Yang *
2015 article
LCST Behavior is Manifested in a Single Molecule: Elastin-Like polypeptide (VPGVG)n
Zhao, B., Li, N. K., Yingling, Y. G., & Hall, C. K. (2015, November 23). Biomacromolecules, Vol. 17, pp. 111–118.
2015 article
Microtubules and cellulose biosynthesis: the emergence of new players
Li, S., Lei, L., Yingling, Y. G., & Gu, Y. (2015, October 25). Current Opinion in Plant Biology, Vol. 28, pp. 76–82.
2015 journal article
Molecular description of LCST behavior of elastin-like peptides poly(VPGVG) and poly(VGPVG)
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057468/
2015 journal article
Morphological and rheological properties of aqueous micellar network of polyelectrolyte block copolymers
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057469/
2015 article
Prediction of solvent-induced morphological changes of polyelectrolyte diblock copolymer micelles
Li, N. K., Fuss, W. H., Tang, L., Gu, R., Chilkoti, A., Zauscher, S., & Yingling, Y. G. (2015, January 1). Soft Matter, Vol. 11, pp. 8236–8245.
Contributors: N. Li n, W. Fuss n, L. Tang *, R. Gu *, A. Chilkoti *, S. Zauscher *, n
2015 journal article
Prediction of the structures of the plant-specific regions of vascular plant cellulose synthases and correlated functional analysis
Cellulose, 23(1), 145–161.
Contributors: n , C. Haigler n , A. Singh n, E. Slabaugh n, J. Davis n & L. Sethaphong n
2015 journal article
Simulations of the self-assembly of polyelectrolyte block copolymers using dissipative particle dynamics with an implicit solvent ionic strength (ISIS) method
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057467/
2014 article
An Implicit Solvent Ionic Strength (ISIS) Method to Model Polyelectrolyte Systems with Dissipative Particle Dynamics
Li, N. K., Fuss, W. H., & Yingling, Y. G. (2014, August 14). Macromolecular Theory and Simulations, Vol. 24, pp. 7–12.
2014 journal article
Computational and genetic evidence that different structural conformations of a non-catalytic region affect the function of plant cellulose synthase
Journal of Experimental Botany, 65(22), 6645–6653.
Contributors: E. Slabaugh n, L. Sethaphong n, C. Xiao *, J. Amick n, C. Anderson *, C. Haigler n , n
2014 article
Enzymatic Polymerization of High Molecular Weight DNA Amphiphiles That Self‐Assemble into Star‐Like Micelles
Tang, L., Tjong, V., Li, N., Yingling, Y. G., Chilkoti, A., & Zauscher, S. (2014, February 3). Advanced Materials, Vol. 2, p. n/aân/a.
Contributors: L. Tang *, V. Tjong*, N. Li n, n , A. Chilkoti * & S. Zauscher *
2014 article
Molecular Description of the LCST Behavior of an Elastin-Like Polypeptide
Li, N. K., Quiroz, F. G., Hall, C. K., Chilkoti, A., & Yingling, Y. G. (2014, August 21). Biomacromolecules, Vol. 15, pp. 3522–3530.
Contributors: N. Li n, F. Quiroz *, C. Hall* , A. Chilkoti * & *
2014 article
Persistence Length of Single Stranded DNA: Effect of Length, Sequence and Surface
Kim, H. S., & Yingling, Y. G. (2014, January 1). Biophysical Journal.
Contributors: H. Kim n & n
2014 article
Progress in molecular modelling of DNA materials
Li, N. K., Kim, H. S., Nash, J. A., Lim, M., & Yingling, Y. G. (2014, May 23). Molecular Simulation, Vol. 5, pp. 1–7.
2013 journal article
Cellulose synthases: new insights from crystallography and modeling
Trends in Plant Science, 19(2), 99–106.
Contributors: J. Zimmer *, n , C. Haigler n , J. Davis n & E. Slabaugh n
2013 article
Correlating fullerene diffusion with the polythiophene morphology: molecular dynamics simulations
Pani, R. C., Bond, B. D., Krishnan, G., & Yingling, Y. G. (2013, January 1). Soft Matter, Vol. 9, p. 10048.
2013 journal article
Modeling polymer/biopolymer and nanoparticle interactions: Prediction of materials morphology
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057478/
2013 journal article
Tertiary model of a plant cellulose synthase
Proceedings of the National Academy of Sciences, 110(18), 7512–7517.
Contributors: * , S. DeBolt *, D. Bonetta *, J. Zimmer *, J. Kubicki *, C. Haigler n , L. Sethaphong*
2013 article
The relationship between enhanced enzyme activity and structural dynamics in ionic liquids: a combined computational and experimental study
Kim, H. S., Ha, S. H., Sethaphong, L., Koo, Y.-M., & Yingling, Y. G. (2013, December 2). Physical Chemistry Chemical Physics, Vol. 16, p. 2944.
Contributors: H. Kim n, S. Ha*, L. Sethaphong n, Y. Koo * & n
2013 article
Tuning DNA Bending with Charged Nanoparticles: Molecular Simulations
Singh, A., Li, N., & Yingling, Y. G. (2013, January 1). Biophysical Journal, Vol. 104, p. 29a.
Contributors: A. Singh n, N. Li n & n
2013 conference paper
X3DBio2: A visual analysis tool for biomolecular structure comparison
In P. C. Wong, D. L. Kao, M. C. Hao, C. Chen, & C. G. Healey (Eds.), Visualization and Data Analysis 2013 (Vol. 2, p. 86540W).
Ed(s): P. Wong *, D. Kao, M. Hao, C. Chen & C. Healey
2012 journal article
Effect of solvent on the interfacial properties between functionalized nanoparticles and polymers
Abstracts of Papers of the American Chemical Society. https://publons.com/wos-op/publon/28057488/
2012 journal article
Gold Nanoparticles: Weakly Charged Cationic Nanoparticles Induce DNA Bending and Strand Separation (Adv. Mater. 31/2012)
Advanced Materials, 24(31), 4221–4221.
2012 article
Interactions of Gold Nanoparticles with DNA: Interplay of Sequence, Ligands Charge and Polarity
Singh, A., Li, N., & Yingling, Y. G. (2012, January 1). Biophysical Journal.
Contributors: A. Singh n, N. Li n & n
2012 chapter
Molecular dynamics simulations of nano-bio materials
In B. Bhushan (Ed.), Encyclopedia of Nanotechnology (pp. 1454–1463).
Ed(s): B. Bhushan
2012 article
Role of Solvent and Dendritic Architecture on the Redox Core Encapsulation
Pani, R. C., & Yingling, Y. G. (2012, June 14). The Journal of Physical Chemistry A, Vol. 116, p. 7593â7599.
Contributors: R. Pani n & n
2012 article
Structure Prediction of a Cellulose Synthase Protein and the Effect of Mutations
Singh, A., Sethaphong, L., & Yingling, Y. G. (2012, January 1). Biophysical Journal.
Contributors: A. Singh n, L. Sethaphong n & n
2012 article
The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study
Marlowe, A. E., Singh, A., & Yingling, Y. G. (2012, August 2). Materials Science and Engineering C, Vol. 32, p. 2583â2588.
Contributors: A. Marlowe n, A. Singh n & n
2012 article
Weakly Charged Cationic Nanoparticles Induce DNA Bending and Strand Separation
Railsback, J. G., Singh, A., Pearce, R. C., McKnight, T. E., Collazo, R., Sitar, Z., … Melechko, A. V. (2012, June 19). Advanced Materials, Vol. 24, p. 4261â4265.
Contributors: J. Railsback n, A. Singh n, R. Pearce n, T. McKnight *, R. Collazo n , Z. Sitar n, n , A. Melechko n
2011 article
Characterization of Osteogenesis Imperfecta Mutations in Type I Collagen: A Molecular Dynamics Study
Marlowe, A. E., & Yingling, Y. G. (2011, February 1). Biophysical Journal.
2011 article
Computational Prediction of Cellulose Synthase Protein Structure
Vargas, A., Sethaphong, L., & Yingling, Y. (2011, February 1). Biophysical Journal.
2011 article
Interactions of Cations with RNA Loop-Loop Complexes
Singh, A., Sethaphong, L., & Yingling, Y. G. (2011, August 1). Biophysical Journal, Vol. 101, p. 727â735.
Contributors: A. Singh n, L. Sethaphong n & n
2011 article
Molecular Dynamics Simulation Studies on the Hybridization Events of Surface Immobilized DNA
Singh, A., & Yingling, Y. G. (2011, February 1). Biophysical Journal.
2011 article
Nucleic Acid Helical Conformation and Sequence Effects on Cationic Binding
Sethaphong, L., & Yingling, Y. (2011, February 1). Biophysical Journal.
2011 journal article
Nucleic acid helical conformation and sequence effects on cationic binding
Abstracts of Papers of the American Chemical Society. https://publons.com/publon/28057504/
2011 journal article
Simulations of Stretching Single Stranded DNA
MRS Proceedings, 1301.
2011 article
The role of hydrogen bonding in water-mediated glucose solubility in ionic liquids
Kim, H. S., Pani, R., Ha, S. H., Koo, Y.-M., & Yingling, Y. G. (2011, December 2). Journal of Molecular Liquids, Vol. 166, p. 25â30.
2011 article
Theoretical perspective on properties of DNA‐functionalized surfaces
Singh, A., Eksiri, H., & Yingling, Y. G. (2011, August 31). Journal of Polymer Science Part B Polymer Physics, Vol. 49, p. 1563â1568.
2011 article
X3DBio1: a visual analysis tool for biomolecular structure exploration
Yi, H., Singh, A., & Yingling, Y. G. (2011, December 1). (P. C. Wong, D. L. Kao, M. C. Hao, C. Chen, R. Kosara, M. A. Livingston, … I. Roberts, Eds.). Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE, Vol. 1, p. 8294OS.
Ed(s): P. Wong, D. Kao, M. Hao n, C. Chen, R. Kosara, M. Livingston, J. Park, I. Roberts
2010 article
Cationic Sequence Dependence in Nucleic Acid Structures
Sethaphong, L., Singh, A., Marlowe, A. E., & Yingling, Y. G. (2010, January 1). Biophysical Journal.
Contributors: L. Sethaphong n, A. Singh n, A. Marlowe n & n
2010 article
Effect of Oligonucleotide Length on the Assembly of DNA Materials: Molecular Dynamics Simulations of Layer-by-Layer DNA Films
Singh, A., Snyder, S., Lee, L., Johnston, A. P. R., Caruso, F., & Yingling, Y. G. (2010, October 12). Langmuir, Vol. 26, p. 17339â17347.
Contributors: n , F. Caruso *, A. Johnston *, L. Lee *, S. Snyder n & A. Singh n
2010 article
Molecular Dynamics and Distribution of Ions in Kissing Loop
Singh, A., Sethaphong, L., & Yingling, Y. G. (2010, January 1). Biophysical Journal, Vol. 98, p. 264a.
Contributors: A. Singh n, L. Sethaphong n & n
2010 article
The Effect of Genetic Mutations on Structural and Mechanical Properties of Collagen: Molecular Dynamics Simulations
Marlowe, A. E., & Yingling, Y. G. (2010, January 1). Biophysical Journal, Vol. 98, p. 568a.
2010 article
The Sequence of HIV-1 TAR RNA Helix Controls Cationic Distribution
Sethaphong, L., Singh, A., Marlowe, A. E., & Yingling, Y. G. (2010, January 14). The Journal of Physical Chemistry C, Vol. 114, p. 5506â5512.
Contributors: n , A. Marlowe n, A. Singh n & L. Sethaphong n
2009 journal article
Computational Discovery Of The Electronegative Channel In RNA Loop-loop Interactions
Biophysical Journal, 96(3), 83a.
Contributors: A. Semichaevsky n, A. Singh n & n
2009 article
Computational and Experimental Determination of the tRNA-like Structure in the 3′UTR of the Turnip Crinkle Virus (TCV)
Kasprzak, W. K., Yingling, Y. G., Simon, A. E., & Shapiro, B. A. (2009, February 1). Biophysical Journal, Vol. 96, pp. 19a–20a.
2008 journal article
COMP 215-Explicit molecular dynamics simulations of kissing loop motif formed between TAR-RNA element of HIV-1 and aptamer
Abstracts of Papers of the American Chemical Society. https://publons.com/wos-op/publon/28057500/
2008 journal article
Comparing Ion Distributions around RNA and DNA Helical and Loop-loop Motifs
MRS Proceedings, 1130.
2008 chapter
Protocols for the In Silico Design of RNA Nanostructures
In Methods in Molecular Biology™ (pp. 93–115).
2008 journal article
Structural Domains within the 3' Untranslated Region of Turnip Crinkle Virus
Journal of Virology, 82(17), 8706–8720.
Contributors: J. McCormack*, X. Yuan *, * , W. Kasprzak*, R. Zamora*, B. Shapiro*, A. Simon *
2008 journal article
The 3' proximal translational enhancer of Turnip crinkle virus binds to 60S ribosomal subunits
RNA, 14(11), 2379–2393.
Contributors: A. Simon *, J. Dinman *, B. Shapiro*, * , J. McCormack*, A. Meskauskas*, V. Stupina*
2007 journal article
Bridging the gap in RNA structure prediction
Current Opinion in Structural Biology, 17(2), 157–165.
2007 journal article
Computational Design of an RNA Hexagonal Nanoring and an RNA Nanotube
Nano Letters, 7(8), 2328–2334.
2007 journal article
Computational investigation into the mechanisms of UV ablation of poly(methyl methacrylate)
Applied Surface Science, 253(15), 6382–6385.
Contributors: * , B. Garrison *, P. Conforti* & M. Prasad*
2007 journal article
Computational studies of ultraviolet ablation of poly(methyl methacrylate)
Journal of Physics: Conference Series, 59, 322–327.
Contributors: B. Garrison *, * & P. Conforti*
2007 journal article
Incorporation of chemical reactions into UV photochemical ablation of coarse-grained material
Applied Surface Science, 253(15), 6377–6381.
Contributors: B. Garrison * & *
2007 journal article
RNAJunction: a database of RNA junctions and kissing loops for three-dimensional structural analysis and nanodesign
Nucleic Acids Research, 36(suppl_1), D392–D397.
2007 journal article
The Impact of Dyskeratosis Congenita Mutations on the Structure and Dynamics of the Human Telomerase RNA Pseudoknot Domain
Journal of Biomolecular Structure and Dynamics, 24(4), 303–319.
2007 journal article
Theoretical investigation of formation and properties of RNA nanoparticles
Biophysical Journal. https://publons.com/publon/11561857/
2006 article
A Unique Electromagnetic Photon Field Using Feynman's Electron Characteristics and Maxwell's Equations
Grimes, D. M., & Grimes, C. A. (2006, October 1). Journal of Computational and Theoretical Nanoscience.
2006 journal article
Structural and Dynamical Classification of RNA Single-Base Bulges for Nanostructure Design
Journal of Computational and Theoretical Nanoscience, 3(1), 63–77.
2006 journal article
The Prediction of the Wild-type Telomerase RNA Pseudoknot Structure and the Pivotal Role of a Bulge in its Formation
Journal of Molecular Graphics and Modelling, 25(2), 261–274.
2005 journal article
Coarse-Grained Model of the Interaction of Light with Polymeric Material: Onset of Ablation
The Journal of Physical Chemistry B, 109(34), 16482–16489.
Contributors: * & B. Garrison *
2005 journal article
Dynamic Behavior of the Telomerase RNA Hairpin Structure and its Relationship to Dyskeratosis Congenita
Journal of Molecular Biology, 348(1), 27–42.
2004 journal article
Coarse-Grained Chemical Reaction Model
The Journal of Physical Chemistry B, 108(6), 1815–1821.
Contributors: B. Garrison * & *
2004 journal article
Theoretical investigation of laser pulse width dependence in a thermal confinement regime
Applied Physics A, 79(4-6), 757–759.
Contributors: B. Garrison *, P. Conforti* & *
2003 article
Computer Simulations of Laser Ablation of Molecular Substrates
Zhigilei, L. V., Leveugle, E., Garrison, B. J., Yingling, Y. G., & Zeifman, M. I. (2003, April 29). ChemInform, Vol. 34.
2003 journal article
Computer Simulations of Laser Ablation of Molecular Substrates
Chemical Reviews, 103(2), 321–348.
Contributors: M. Zeifman *, * , B. Garrison, E. Leveugle* & L. Zhigilei *
2003 journal article
Molecular dynamics simulations of matrix-assisted laser desorption - connections to experiment
International Journal of Mass Spectrometry, 226(1), 85–106.
Contributors: B. Garrison *, T. Schoolcraft*, T. Itina *, * & L. Zhigilei *
2003 journal article
Photochemical ablation of organic solids
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 202, 188–194.
Contributors: B. Garrison * & *
2002 journal article
Big molecule ejection—SIMS vs. MALDI
Applied Surface Science, 203-204, 69–71.
Contributors: B. Garrison*, A. Delcorte *, L. Zhigilei *, T. Itina *, K. Krantzman*, * , C. McQuaw *, E. Smiley*, N. Winograd *
2002 journal article
Photochemical induced effects in material ejection in laser ablation
Chemical Physics Letters, 364(3-4), 237–243.
Contributors: * & B. Garrison *
2001 journal article
Laser ablation of bicomponent systems: A probe of molecular ejection mechanisms
Applied Physics Letters, 78(11), 1631–1633.
Contributors: * , L. Zhigilei *, B. Garrison *, A. Koubenakis*, J. Labrakis* & S. Georgiou*
2001 journal article
Photochemical fragmentation processes in laser ablation of organic solids
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 180(1-4), 171–175.
Contributors: * , L. Zhigilei * & B. Garrison *
2001 journal article
The role of the photochemical fragmentation in laser ablation: a molecular dynamics study
Journal of Photochemistry and Photobiology A: Chemistry, 145(3), 173–181.
Contributors: * , L. Zhigilei * & B. Garrison *
journal article
New polyvalent RNA nanoparticle comprises RNA motifs as building blocks, useful in a drug delivery composition for treating or preventing a disease or disorder, e.g. AIDS, Alzheimer's disease, anemia, cancer, hypertension, or obesity
https://publons.com/publon/15543588/
journal article
New polyvalent RNA nanoparticle, useful for treating or preventing a disease or disorder, e.g. adenoma, aging, AIDS, alopecia, Alzheimer's disease, or anemia
https://publons.com/publon/15543587/
Employment
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2007 - present
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2002 - 2004
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Updated: December 10th, 2019 21:21
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Funding History
Funding history based on the linked ORCID record. Updated: October 17th, 2024 13:21