| COVID-19: famotidine, histamine, mast cells, and mechanisms RW Malone, P Tisdall, P Fremont-Smith, Y Liu, XP Huang, KM White, ... Frontiers in Pharmacology 12, 633680, 2021 | 150 | 2021 |
| The activities of drug inactive ingredients on biological targets J Pottel, D Armstrong, L Zou, A Fekete, XP Huang, H Torosyan, ... Science 369 (6502), 403-413, 2020 | 69 | 2020 |
| Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s V Campagna-Slater, J Pottel, E Therrien, LD Cantin, N Moitessier Journal of chemical information and modeling 52 (9), 2471-2483, 2012 | 61 | 2012 |
| Medicinal chemistry projects requiring imaginative structure-based drug design methods N Moitessier, J Pottel, E Therrien, P Englebienne, Z Liu, A Tomberg, ... Accounts of chemical research 49 (9), 1646-1657, 2016 | 60 | 2016 |
| Docking ligands into flexible and solvated macromolecules. 6. Development and application to the docking of HDACs and other zinc metalloenzymes inhibitors J Pottel, E Therrien, JL Gleason, N Moitessier Journal of Chemical Information and Modeling 54 (1), 254-265, 2014 | 51 | 2014 |
| Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives L Zou, P Spanogiannopoulos, LM Pieper, HC Chien, W Cai, N Khuri, ... Proceedings of the National Academy of Sciences 117 (27), 16009-16018, 2020 | 45 | 2020 |
| Design, synthesis and evaluation of antiestrogen and histone deacetylase inhibitor molecular hybrids R Mendoza-Sanchez, D Cotnoir-White, J Kulpa, I Jutras, J Pottel, ... Bioorganic & medicinal chemistry 23 (24), 7597-7606, 2015 | 42 | 2015 |
| From desktop to benchtop with automated computational workflows for computer-aided design in asymmetric catalysis M Burai Patrascu, J Pottel, S Pinus, M Bezanson, PO Norrby, N Moitessier Nature Catalysis 3 (7), 574-584, 2020 | 40 | 2020 |
| Stereo-and regioselective synthesis of polysubstituted chiral 1, 4-oxazepanes M Bezanson, J Pottel, R Bilbeisi, S Toumieux, M Cueto, N Moitessier The Journal of Organic Chemistry 78 (3), 872-885, 2013 | 23 | 2013 |
| Customizable generation of synthetically accessible, local chemical subspaces J Pottel, N Moitessier Journal of Chemical Information and Modeling 57 (3), 454-467, 2017 | 21 | 2017 |
| Understanding P450‐mediated Bio‐transformations into Epoxide and Phenolic Metabolites A Tomberg, J Pottel, Z Liu, P Labute, N Moitessier Angewandte Chemie International Edition 54 (46), 13743-13747, 2015 | 19 | 2015 |
| Interactions of oral molecular excipients with breast cancer resistance protein, BCRP L Zou, J Pottel, N Khuri, HX Ngo, Z Ni, E Tsakalozou, MS Warren, ... Molecular pharmaceutics 17 (3), 748-756, 2020 | 18 | 2020 |
| Elucidating hyperconjugation from electronegativity to predict drug conformational energy in a high throughput manner Z Liu, J Pottel, M Shahamat, A Tomberg, P Labute, N Moitessier Journal of chemical information and modeling 56 (4), 788-801, 2016 | 16 | 2016 |
| A molecular basis for innovation in drug excipients JJ Irwin, J Pottel, L Zou, H Wen, S Zuk, X Zhang, T Sterling, BK Shoichet, ... Clinical Pharmacology & Therapeutics 101 (3), 320-323, 2017 | 13 | 2017 |
| The recognition of unrelated ligands by identical proteins J Pottel, A Levit, M Korczynska, M Fischer, BK Shoichet ACS chemical biology 13 (9), 2522-2533, 2018 | 12 | 2018 |
| Highly Regioselective Monoacylation of Unprotected Glucopyranoside Using Transient Directing‐Protecting Groups S Rocheleau, J Pottel, I Huskić, N Moitessier European Journal of Organic Chemistry 2017 (3), 646-656, 2017 | 11 | 2017 |
| Metabolic Instability of Cyanothiazolidine‐Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications P Schiavini, J Pottel, N Moitessier, K Auclair ChemMedChem 10 (7), 1174-1183, 2015 | 10 | 2015 |
| Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─ Challenges and Opportunities A Labarre, JK Stille, MB Patrascu, A Martins, J Pottel, N Moitessier Journal of Chemical Information and Modeling 62 (4), 1061-1077, 2022 | 9 | 2022 |
| Single-point mutation with a Rotamer library toolkit: toward protein engineering J Pottel, N Moitessier Journal of chemical information and modeling 55 (12), 2657-2671, 2015 | 9 | 2015 |
| Efficient Transition State Modeling Using Molecular Mechanics Force Fields for the Everyday Chemist J Pottel, N Moitessier Reviews in Computational Chemistry 29, 152-185, 2016 | 5 | 2016 |
