| Is multitask deep learning practical for pharma? B Ramsundar, B Liu, Z Wu, A Verras, M Tudor, RP Sheridan, V Pande Journal of chemical information and modeling 57 (8), 2068-2076, 2017 | 264 | 2017 |
| Mutagenesis and functional studies with succinate dehydrogenase inhibitors in the wheat pathogen Mycosphaerella graminicola G Scalliet, J Bowler, T Luksch, L Kirchhofer-Allan, D Steinhauer, K Ward, ... PLoS One 7 (4), e35429, 2012 | 204 | 2012 |
| Microscale high-throughput experimentation as an enabling technology in drug discovery: Application in the discovery of (Piperidinyl) pyridinyl-1 H-benzimidazole diacylglycerol … T Cernak, NJ Gesmundo, K Dykstra, Y Yu, Z Wu, ZC Shi, P Vachal, ... Journal of Medicinal Chemistry 60 (9), 3594-3605, 2017 | 84 | 2017 |
| Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes A Verras, ID Kuntz, PR Ortiz de Montellano Journal of medicinal chemistry 47 (14), 3572-3579, 2004 | 62 | 2004 |
| Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation A Verras, A Alian, PRO Montellano Protein Engineering, Design and Selection 19 (11), 491-496, 2006 | 37 | 2006 |
| QSAR Prediction of Passive Permeability in the LLC‐PK1 Cell Line: Trends in Molecular Properties and Cross‐Prediction of Caco‐2 Permeabilities EC Sherer, A Verras, M Madeira, WK Hagmann, RP Sheridan, D Roberts, ... Molecular informatics 31 (3‐4), 231-245, 2012 | 34 | 2012 |
| Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with in Vivo Activity in Rodents GL Adams, F Velazquez, C Jayne, U Shah, S Miao, ER Ashley, M Madeira, ... ACS Medicinal Chemistry Letters 8 (1), 96-101, 2017 | 33 | 2017 |
| Discovery and pharmacology of a novel class of diacylglycerol acyltransferase 2 inhibitors JE Imbriglio, DM Shen, R Liang, K Marby, M You, HW Youm, Z Feng, ... Journal of medicinal chemistry 58 (23), 9345-9353, 2015 | 29 | 2015 |
| Structural basis for isoform-specific inhibition of human CTPS1 EM Lynch, MA DiMattia, S Albanese, GCP van Zundert, JM Hansen, ... Proceedings of the National Academy of Sciences 118 (40), e2107968118, 2021 | 28 | 2021 |
| Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys SB Hoyt, MK Park, C London, Y Xiong, J Tata, DJ Bennett, A Cooke, J Cai, ... ACS medicinal chemistry letters 6 (5), 573-578, 2015 | 27 | 2015 |
| MAIP: a web service for predicting blood‐stage malaria inhibitors N Bosc, E Felix, R Arcila, D Mendez, MR Saunders, DVS Green, ... Journal of Cheminformatics 13, 1-14, 2021 | 24 | 2021 |
| Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension SB Hoyt, J Taylor, C London, A Ali, F Ujjainwalla, J Tata, M Struthers, ... Bioorganic & Medicinal Chemistry Letters 27 (11), 2384-2388, 2017 | 22 | 2017 |
| Informing the selection of screening hit series with in silico absorption, distribution, metabolism, excretion, and toxicity profiles: miniperspective JM Sanders, DC Beshore, JC Culberson, JI Fells, JE Imbriglio, ... Journal of medicinal chemistry 60 (16), 6771-6780, 2017 | 19 | 2017 |
| Discovery of triazole CYP11B2 inhibitors with in vivo activity in rhesus monkeys SB Hoyt, W Petrilli, C London, GB Liang, J Tata, Q Hu, L Yin, ... ACS Medicinal Chemistry Letters 6 (8), 861-865, 2015 | 19 | 2015 |
| Discovery of benzimidazole pyrrolidinyl amides as prolylcarboxypeptidase inhibitors HC Shen, FX Ding, C Zhou, Y Xiong, A Verras, RM Chabin, S Xu, X Tong, ... Bioorganic & medicinal chemistry letters 21 (5), 1299-1305, 2011 | 19 | 2011 |
| Shared consensus machine learning models for predicting blood stage malaria inhibition A Verras, CL Waller, P Gedeck, DVS Green, T Kogej, A Raichurkar, ... Journal of chemical information and modeling 57 (3), 445-453, 2017 | 18 | 2017 |
| Peptidomic profiling of human cerebrospinal fluid identifies YPRPIHPA as a novel substrate for prolylcarboxypeptidase X Zhao, K Southwick, HL Cardasis, Y Du, ME Lassman, D Xie, ... Proteomics 10 (15), 2882-2886, 2010 | 18 | 2010 |
| Discovery of spirocyclic aldosterone synthase inhibitors as potential treatments for resistant hypertension WL Petrilli, SB Hoyt, C London, D McMasters, A Verras, M Struthers, ... ACS medicinal chemistry letters 8 (1), 128-132, 2017 | 17 | 2017 |
| The discovery of non-benzimidazole and brain-penetrant prolylcarboxypeptidase inhibitors TH Graham, HC Shen, W Liu, Y Xiong, A Verras, K Bleasby, UR Bhatt, ... Bioorganic & medicinal chemistry letters 22 (1), 658-665, 2012 | 16 | 2012 |
| Pyrazoles as non-classical bioisosteres in prolylcarboxypeptidase (PrCP) inhibitors TH Graham, M Shu, A Verras, Q Chen, M Garcia-Calvo, X Li, JM Lisnock, ... Bioorganic & Medicinal Chemistry Letters 24 (7), 1657-1660, 2014 | 15 | 2014 |
