Alexandre Borrel

Works (5)

Updated: July 23rd, 2023 21:14
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2021 journal article

Cheminformatics Analysis of Fluoroquinolones and Their Inhibition Potency Against Four Pathogens

MOLECULAR INFORMATICS, 40(5).

By: A. Borrel n, C. Melander* & D. Fourches n

MeSH headings : Anti-Bacterial Agents / chemistry; Anti-Bacterial Agents / pharmacology; Bacteria / drug effects; Cheminformatics; Drug Discovery; Escherichia coli / drug effects; Fluoroquinolones / chemistry; Fluoroquinolones / pharmacology; Microbial Sensitivity Tests; Pseudomonas aeruginosa / drug effects; Quantitative Structure-Activity Relationship; Staphylococcus aureus / drug effects; Streptococcus pneumoniae / drug effects
Source: Web Of Science
Added: December 21, 2020

2020 journal article

Benchmarking 2D/3D/MD-QSAR Models for Imatinib Derivatives: How Far Can We Predict?

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 60(7), 3342–3360.

By: P. Zin n , A. Borrel n & D. Fourches n

MeSH headings : Benchmarking; Imatinib Mesylate / pharmacology; Molecular Docking Simulation; Quantitative Structure-Activity Relationship; Reproducibility of Results
Sources: Web Of Science, ORCID
Added: August 24, 2020

2018 journal article

Exploring drug space with ChemMaps.com

BIOINFORMATICS, 34(21), 3773–3775.

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

MeSH headings : Computational Biology; Databases, Pharmaceutical; Molecular Structure; Software; Web Browser
Source: Web Of Science
Added: December 3, 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 n & D. Fourches n

MeSH headings : Computational Biology / methods; Models, Molecular; Molecular Conformation; Software; Virtual Reality
Source: Web Of Science
Added: August 6, 2018

2017 journal article

Structural Isosteres of Phosphate Groups in the Protein Data Bank

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 57(3), 499–516.

By: Y. Zhang, A. Borrel*, L. Ghemtio, L. Regad *, G. Gennas, A. Camproux *, J. Yli-Kauhaluoma, H. Xhaard

MeSH headings : Binding Sites; Cell Membrane / metabolism; Databases, Protein; Humans; Hydrophobic and Hydrophilic Interactions; Ligands; Models, Molecular; Phosphates / chemistry; Phosphates / metabolism; Protein Conformation
Source: Web Of Science
Added: August 6, 2018