| Evaluating virtual screening methods: good and bad metrics for the “early recognition” problem JF Truchon, CI Bayly Journal of chemical information and modeling 47 (2), 488-508, 2007 | 857 | 2007 |
| Comparison of topological, shape, and docking methods in virtual screening GB McGaughey, RP Sheridan, CI Bayly, JC Culberson, C Kreatsoulas, ... Journal of chemical information and modeling 47 (4), 1504-1519, 2007 | 496 | 2007 |
| A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compounds RM Oballa, JF Truchon, CI Bayly, N Chauret, S Day, S Crane, ... Bioorganic & medicinal chemistry letters 17 (4), 998-1002, 2007 | 163 | 2007 |
| A cavity corrected 3D-RISM functional for accurate solvation free energies JF Truchon, BM Pettitt, P Labute Journal of Chemical Theory and Computation 10 (3), 934-941, 2014 | 153 | 2014 |
| Natural products in medicine: transformational outcome of synthetic chemistry J Szychowski, JF Truchon, YL Bennani Journal of medicinal chemistry 57 (22), 9292-9308, 2014 | 106 | 2014 |
| Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses B Côté, JD Burch, E Asante-Appiah, C Bayly, L Bédard, M Blouin, ... Bioorganic & medicinal chemistry letters 24 (3), 917-922, 2014 | 98 | 2014 |
| The identification of potent, selective, and bioavailable cathepsin S inhibitors JY Gauthier, WC Black, I Courchesne, W Cromlish, S Desmarais, R Houle, ... Bioorganic & medicinal chemistry letters 17 (17), 4929-4933, 2007 | 79 | 2007 |
| Solvation of formic acid and proton transfer in hydrated clusters D Wei, JF Truchon, S Sirois, D Salahub The Journal of chemical physics 116 (14), 6028-6038, 2002 | 64 | 2002 |
| Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2 … N Gresh, SA Kafafi, JF Truchon, DR Salahub Journal of computational chemistry 25 (6), 823-834, 2004 | 45 | 2004 |
| Structure–activity relationship of triaryl propionic acid analogues on the human EP3 prostanoid receptor M Gallant, M Belley, MC Carrière, A Chateauneuf, D Denis, N Lachance, ... Bioorganic & medicinal chemistry letters 13 (21), 3813-3816, 2003 | 40 | 2003 |
| Tricyclic compounds useful as inhibitors of kinases JF Truchon, N LaChance, C Lau, Y LeBlanc, C Mellon, P Roy, E Isabel, ... US Patent 8,518,964, 2013 | 39 | 2013 |
| Discovery of 2-pyridinone aminals: a prodrug strategy to advance a second generation of HIV-1 integrase strand transfer inhibitors IT Raheem, AM Walji, D Klein, JM Sanders, DA Powell, P Abeywickrema, ... Journal of medicinal chemistry 58 (20), 8154-8165, 2015 | 36 | 2015 |
| Primary amides as selective inhibitors of cathepsin K S Léger, CI Bayly, WC Black, S Desmarais, JP Falgueyret, F Massé, ... Bioorganic & medicinal chemistry letters 17 (15), 4328-4332, 2007 | 30 | 2007 |
| An informal AMBER small molecule force field: Parm@ Frosst C Bayly, D McKay, JF Truchon CCL .NET, 2010 | 29 | 2010 |
| GLARE: a new approach for filtering large reagent lists in combinatorial library design using product properties JF Truchon, CI Bayly Journal of chemical information and modeling 46 (4), 1536-1548, 2006 | 27 | 2006 |
| Identification of RP-6685, an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Polθ M Bubenik, P Mader, P Mochirian, F Vallée, J Clark, JF Truchon, ... Journal of medicinal chemistry 65 (19), 13198-13215, 2022 | 26 | 2022 |
| Accurate molecular polarizabilities based on continuum electrostatics JF Truchon, A Nicholls, RI Iftimie, B Roux, CI Bayly Journal of chemical theory and computation 4 (9), 1480-1493, 2008 | 24 | 2008 |
| β-Substituted cyclohexanecarboxamide cathepsin K inhibitors: Modification of the 1, 2-disubstituted aromatic core J Robichaud, CI Bayly, WC Black, S Desmarais, S Léger, F Massé, ... Bioorganic & medicinal chemistry letters 17 (11), 3146-3151, 2007 | 20 | 2007 |
| Integrated continuum dielectric approaches to treat molecular polarizability and the condensed phase: refractive index and implicit solvation JF Truchon, A Nicholls, B Roux, RI Iftimie, CI Bayly Journal of chemical theory and computation 5 (7), 1785-1802, 2009 | 17 | 2009 |
| Discovery of an orally bioavailable and selective PKMYT1 inhibitor, RP-6306 J Szychowski, R Papp, E Dietrich, B Liu, F Vallée, ME Leclaire, ... Journal of medicinal chemistry 65 (15), 10251-10284, 2022 | 14 | 2022 |
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