Denis Fourches

Works (32)

2019 article

4D-quantitative structure-activity relationship modeling: making a comeback

EXPERT OPINION ON DRUG DISCOVERY.

By: D. Fourches & J. Ash

Source: Web Of Science
Added: September 30, 2019

2019 journal article

Binding of peanut allergen Ara h 2 with Vaccinium fruit polyphenols

FOOD CHEMISTRY, 284, 287–295.

By: N. Plundrich, B. Cook, S. Maleki, D. Fourches & M. Lila

Source: NC State University Libraries
Added: February 25, 2019

2019 journal article

Cheminformatics approach to exploring and modeling trait-associated metabolite profiles

JOURNAL OF CHEMINFORMATICS, 11.

Source: Web Of Science
Added: July 15, 2019

2019 journal article

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

NATURE COMMUNICATIONS, 10.

By: M. Menden, D. Wang, M. Mason, B. Szalai, K. Bulusu, Y. Guan, T. Yu, J. Kang ...

Source: Web Of Science
Added: July 1, 2019

2019 journal article

Identifying individual risk rare variants using protein structure guided local tests (POINT)

PLOS COMPUTATIONAL BIOLOGY, 15(2).

By: R. West, W. Lu, D. Rotroff, M. Kuenemann, S. Chang, M. Wu, M. Wagner, J. Buse ...

Source: Web Of Science
Added: March 25, 2019

2019 review

Ion mobility spectrometry and the omics: Distinguishing isomers, molecular classes and contaminant ions in complex samples

[Review of ]. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 116, 292–299.

By: K. Burnum-Johnson, X. Zheng, J. Dodds, J. Ash, D. Fourches, C. Nicora, J. Wendler, T. Metz ...

Source: Web Of Science
Added: July 1, 2019

2019 journal article

Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline

JOURNAL OF CHEMICAL EDUCATION, 96(2), 291–295.

By: D. Fourches & J. Feducia

Source: Web Of Science
Added: August 12, 2019

2018 journal article

Adverse drug reactions triggered by the common HLA-B*57:01 variant: Virtual screening of DrugBank using 3D molecular docking

Journal of Cheminformatics, 10.

By: G. Van Den Driessche & D. Fourches

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

2018 journal article

Cheminformatics analysis of dynamic WNK-inhibitor interactions

Molecular Informatics, 37(6-7).

By: M. Kuenemann & D. Fourches

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

2018 journal article

Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds

JOURNAL OF CHEMINFORMATICS, 10.

By: P. Zin, G. Williams & D. Fourches

Source: NC State University Libraries
Added: December 3, 2018

2018 journal article

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 58(11), 2203–2213.

By: Y. Low, V. Alves, D. Fourches, A. Sedykh, C. Andrade, E. Muratov, I. Rusyn, A. Tropsha

Source: NC State University Libraries
Added: December 17, 2018

2018 journal article

Confirmation of high-throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays

Scientific Reports, 8.

By: D. Mahapatra, J. Franzosa, K. Roell, M. Kuenemann, K. Houck, D. Reif, D. Fourches, S. Kullman

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

2018 journal article

Exploring drug space with ChemMaps.com

BIOINFORMATICS, 34(21), 3773–3775.

By: A. Borrel, N. Kleinstreuer & D. Fourches

Source: NC State University Libraries
Added: December 3, 2018

2018 journal article

In silico predicted glucose-1-phosphate Uridylyltransferase (GalU) inhibitors block a key pathway required for Listeria virulence

Molecular Informatics, 37(6-7).

By: M. Kuenemann, P. Spears, P. Orndorff & D. Fourches

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

2018 journal article

Janus kinase inhibitors differ in their affinity to the TRPV1 receptor - implications for their use in itch and pain

Journal of Veterinary Pharmacology and Therapeutics, 41, 160–160.

By: L. Sanabria-Ojeda, T. Fukuyama, D. Fourches & W. Baumer

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

2018 journal article

Predicting Adverse Drug Effects from Literature- and Database-Mined Assertions

DRUG SAFETY, 41(11), 1059–1072.

By: M. La, A. Sedykh, D. Fourches, E. Muratov & A. Tropsha

Source: NC State University Libraries
Added: October 29, 2018

2018 journal article

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 2. Identification of Hair Dye Substance Database Analogs in the Max Weaver Dye Library

ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 6(11), 14248–14256.

By: T. Williams, G. Driessche, A. Valery, D. Fourches & H. Freeman

Source: NC State University Libraries
Added: December 3, 2018

2018 journal article

Toward the rational design of sustainable hair dyes using cheminformatics approaches: Step 1. database development and analysis

ACS Sustainable Chemistry & Engineering, 6(2), 2344–2352.

By: T. Williams, M. Kuenemann, G. Driessche, A. Williams, D. Fourches & H. Freeman

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

2017 journal article

Adverse drug reactions triggered by the common HLA-B*57:01 variant: A molecular docking study

Journal of Cheminformatics, 9.

By: G. Driessche & D. Fourches

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

2017 journal article

Characterizing the chemical space of ERK2 kinase inhibitors using descriptors computed from molecular dynamics trajectories

Journal of Chemical Information and Modeling, 57(6), 1286–1299.

By: J. Ash & D. Fourches

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

2017 journal article

Cheminformatics modeling of amine solutions for assessing their CO2 absorption properties

Molecular Informatics, 36(7).

By: M. Kuenemann & D. Fourches

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

2017 journal article

Computer-assisted decision support for student admissions based on their predicted academic performance

American Journal of Pharmaceutical Education, 81(3).

By: E. Muratov, M. Lewis, D. Fourches, A. Tropsha & W. Cox

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

2017 journal article

RealityConvert: A tool for preparing 3D models of biochemical structures for augmented and virtual reality

Bioinformatics, 33(23), 3816–3818.

By: A. Borrel & D. Fourches

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

2017 journal article

Weaver's historic accessible collection of synthetic dyes: A cheminformatics analysis

Chemical Science, 8(6), 4334–4339.

By: M. Kuenemann, M. Szymczyk, Y. Chen, N. Sultana, D. Hinks, H. Freeman, A. Williams, D. Fourches, N. Vinueza

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

2016 journal article

Alarms about structural alerts

Green Chemistry, 18(16), 4348–4360.

By: V. Alves, E. Muratov, S. Capuzzi, R. Politi, Y. Low, R. Braga, A. Zakharov, A. Sedykh ...

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

2016 journal article

Comprehensive characterization of the Published Kinase Inhibitor Set

Nature Biotechnology, 34(1), 95–103.

By: J. Elkins, V. Fedele, M. Szklarz, K. Azeez, E. Salah, J. Mikolajczyk, S. Romanov, N. Sepetov ...

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

2016 journal article

Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles

Nanotoxicology, 10(3), 374–383.

By: D. Fourches, D. Pu, L. Li, H. Zhou, Q. Mu, G. Su, B. Yan, A. Tropsha

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

2016 journal article

QSAR modeling and prediction of drug-drug interactions

Molecular Pharmaceutics, 13(2), 545–556.

By: A. Zakharov, E. Varlamova, A. Lagunin, A. Dmitriev, E. Muratov, D. Fourches, V. Kuz'min, V. Poroikov, A. Tropsha, M. Nicklaus

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

2016 journal article

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

Green Chemistry, 18(24), 6501–6515.

By: V. Alves, S. Capuzzi, E. Muratov, R. Braga, T. Thornton, D. Fourches, J. Strickland, N. Kleinstreuer, C. Andrade, A. Tropsha

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

2016 journal article

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

Journal of Chemical Information and Modeling, 56(7), 1243–1252.

By: D. Fourches, E. Muratov & A. Tropsha

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

2015 personal communication

Curation of chemogenomics data

By: D. Fourches, E. Muratov & A. Tropsha

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

2015 journal article

Pred-hERG: A novel web-accessible computational tool for predicting cardiac toxicity

Molecular Informatics, 34(10), 698–701.

By: R. Braga, V. Alves, M. Silva, E. Muratov, D. Fourches, L. Liao, A. Tropsha, C. Andrade

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