Works (9)

Updated: July 5th, 2023 15:36

2019 journal article

Cheminformatics approach to exploring and modeling trait-associated metabolite profiles

JOURNAL OF CHEMINFORMATICS, 11.

By: J. Ash n, M. Kuenemann n, D. Rotroff n, A. Motsinger-Reif n & D. Fourches n

co-author countries: United States of America 🇺🇸
author keywords: Metabolomics; Data mining; Cheminformatics; Molecular fragmentation; Statistics; Visualization; Chemical structure
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* ...

co-author countries: Germany 🇩🇪 United Kingdom of Great Britain and Northern Ireland 🇬🇧 Hungary 🇭🇺 Korea (Republic of) 🇰🇷 United States of America 🇺🇸
MeSH headings : ADAM17 Protein / antagonists & inhibitors; Antineoplastic Combined Chemotherapy Protocols / pharmacology; Antineoplastic Combined Chemotherapy Protocols / therapeutic use; Benchmarking; Biomarkers, Tumor / genetics; Cell Line, Tumor; Computational Biology / methods; Computational Biology / standards; Datasets as Topic; Drug Antagonism; Drug Resistance, Neoplasm / drug effects; Drug Resistance, Neoplasm / genetics; Drug Synergism; Genomics / methods; Humans; Molecular Targeted Therapy / methods; Mutation; Neoplasms / drug therapy; Neoplasms / genetics; Pharmacogenetics / methods; Pharmacogenetics / standards; Phosphatidylinositol 3-Kinases / genetics; Phosphoinositide-3 Kinase Inhibitors; Treatment Outcome
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 n, W. Lu n, D. Rotroff*, M. Kuenemann n, S. Chang*, M. Wu*, M. Wagner*, J. Buse* ...

co-author countries: Taiwan, Province of China 🇹🇼 United States of America 🇺🇸
MeSH headings : Angiopoietin-Like Protein 4 / genetics; Cholesterol Ester Transfer Proteins / genetics; Computational Biology / methods; Computer Simulation; Genetic Association Studies / methods; Genetic Predisposition to Disease / genetics; Genetic Variation / genetics; Humans; Models, Genetic; Proprotein Convertase 9 / genetics; Protein Structure, Tertiary; Risk Factors; Sequence Analysis, DNA / methods
Source: Web Of Science
Added: March 25, 2019

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

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

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

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 n, M. Kuenemann n, G. Driessche n, A. Williams*, D. Fourches n & H. Freeman n

co-author countries: United States of America 🇺🇸
author keywords: Cheminformatics; Hair dyes; HDSD; Mutagenicity; Skin sensitization; Sustainability
Sources: Web Of Science, ORCID
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

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

CHEMICAL SCIENCE, 8(6), 4334–4339.

co-author countries: Japan 🇯🇵 Nepal 🇳🇵 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018