PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins HA Hussein, A Borrel, C Geneix, M Petitjean, L Regad, AC Camproux Nucleic acids research 43 (W1), W436-W442, 2015 | 187 | 2015 |
PockDrug: A model for predicting pocket druggability that overcomes pocket estimation uncertainties A Borrel, L Regad, H Xhaard, M Petitjean, AC Camproux Journal of chemical information and modeling 55 (4), 882-895, 2015 | 111 | 2015 |
Global vision of druggability issues: applications and perspectives H Abi Hussein, C Geneix, M Petitjean, A Borrel, D Flatters, AC Camproux Drug discovery today 22 (2), 404-415, 2017 | 83 | 2017 |
The key characteristics of carcinogens: relationship to the hallmarks of cancer, relevant biomarkers, and assays to measure them MT Smith, KZ Guyton, N Kleinstreuer, A Borrel, A Cardenas, WA Chiu, ... Cancer Epidemiology, Biomarkers & Prevention 29 (10), 1887-1903, 2020 | 79 | 2020 |
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality A Borrel, D Fourches Bioinformatics 33 (23), 3816-3818, 2017 | 49 | 2017 |
Structural isosteres of phosphate groups in the protein data bank Y Zhang, A Borrel, L Ghemtio, L Regad, G Boije af Gennäs, ... Journal of Chemical Information and Modeling 57 (3), 499-516, 2017 | 42 | 2017 |
High-throughput screening to predict chemical-assay interference A Borrel, R Huang, S Sakamuru, M Xia, A Simeonov, K Mansouri, ... Scientific Reports 10 (1), 3986, 2020 | 38 | 2020 |
Gohtam: a website for ‘genomic origin of horizontal transfers, alignment and metagenomics’ S Ménigaud, L Mallet, G Picord, C Churlaud, A Borrel, P Deschavanne Bioinformatics 28 (9), 1270-1271, 2012 | 32 | 2012 |
Yale School of Public Health Symposium: an overview of the challenges and opportunities associated with per-and polyfluoroalkyl substances (PFAS) AL Hagstrom, P Anastas, A Boissevain, A Borrel, NC Deziel, SE Fenton, ... Science of the Total Environment 778, 146192, 2021 | 31 | 2021 |
Pharmacophore Model To Discover OX1 and OX2 Orexin Receptor Ligands A Turku, A Borrel, TO Leino, L Karhu, JP Kukkonen, H Xhaard Journal of Medicinal Chemistry 59 (18), 8263-8275, 2016 | 25 | 2016 |
Highlights from the Third European International Society for Computational Biology (ISCB) Student Council Symposium 2014 MP Francescatto M, Hermans SM, Babaei S, Vicedo E, Borrel A BMC Bioinformatics 2015 16 ((Suppl 3):A1), 2015 | 20* | 2015 |
InterPred: a webtool to predict chemical autofluorescence and luminescence interference A Borrel, K Mansouri, S Nolte, T Saddler, M Conway, C Schmitt, ... Nucleic Acids Research 48 (W1), W586-W590, 2020 | 18 | 2020 |
Exploring drug space with ChemMaps.com A Borrel, NC Kleinstreuer, D Fourches Bioinformatics 34 (21), 3773-3775, 2018 | 16 | 2018 |
Benchmarking 2D/3D/MD-QSAR models for Imatinib derivatives: how far can we predict? PP Kyaw Zin, A Borrel, D Fourches Journal of Chemical Information and Modeling 60 (7), 3342-3360, 2020 | 14 | 2020 |
High-throughput chemical screening and structure-based models to predict hERG inhibition S Krishna, A Borrel, R Huang, J Zhao, M Xia, N Kleinstreuer Biology 11 (2), 209, 2022 | 12 | 2022 |
Benchmarking 2D/3D/MD-QSAR models for Imatinib derivatives: how far can we predict? KZ PP, A Borrel, D Fourches Journal of Chemical Information and Modeling 60 (7), 3342-3360, 2020 | 12 | 2020 |
Tox21BodyMap: a webtool to map chemical effects on the human body A Borrel, SS Auerbach, KA Houck, NC Kleinstreuer Nucleic Acids Research 48 (W1), W472-W476, 2020 | 6 | 2020 |
Quantifying the benefits of imputation over QSAR methods in toxicology data modeling TM Whitehead, J Strickland, GJ Conduit, A Borrel, D Mucs, ... Journal of Chemical Information and Modeling 64 (7), 2624-2636, 2023 | 4 | 2023 |
ChemMaps. com v2. 0: exploring the environmental chemical universe A Borrel, M Conway, SZ Nolte, A Unnikrishnan, CP Schmitt, ... Nucleic Acids Research 51 (W1), W78-W82, 2023 | 4 | 2023 |
Characterization of Ionizable Groups’ Environments in Proteins and Protein–Ligand Complexes through a Statistical Analysis of the Protein Data Bank A Borrel, AC Camproux, H Xhaard ACS omega 2 (10), 7359-7374, 2017 | 4 | 2017 |