| Inhibition of acetyl-CoA carboxylase suppresses fatty acid synthesis and tumor growth of non-small-cell lung cancer in preclinical models RU Svensson, SJ Parker, LJ Eichner, MJ Kolar, M Wallace, SN Brun, ... Nature medicine 22 (10), 1108-1119, 2016 | 436 | 2016 |
| Solvated interaction energy (SIE) for scoring protein− ligand binding affinities. 1. Exploring the parameter space M Naïm, S Bhat, KN Rankin, S Dennis, SF Chowdhury, I Siddiqi, P Drabik, ... Journal of chemical information and modeling 47 (1), 122-133, 2007 | 415 | 2007 |
| Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats G Harriman, J Greenwood, S Bhat, X Huang, R Wang, D Paul, L Tong, ... Proceedings of the National Academy of Sciences 113 (13), E1796-E1805, 2016 | 278 | 2016 |
| Inhibition of acetyl-CoA carboxylase by phosphorylation or the inhibitor ND-654 suppresses lipogenesis and hepatocellular carcinoma JSV Lally, S Ghoshal, DK DePeralta, O Moaven, L Wei, R Masia, ... Cell metabolism 29 (1), 174-182. e5, 2019 | 274 | 2019 |
| Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function … MP Repasky, RB Murphy, JL Banks, JR Greenwood, I Tubert-Brohman, ... Journal of computer-aided molecular design 26, 787-799, 2012 | 147 | 2012 |
| Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent … KD Konze, PH Bos, MK Dahlgren, K Leswing, I Tubert-Brohman, ... Journal of chemical information and modeling 59 (9), 3782-3793, 2019 | 108 | 2019 |
| Accelerating drug discovery through tight integration of expert molecular design and predictive scoring R Abel, S Mondal, C Masse, J Greenwood, G Harriman, MA Ashwell, ... Current opinion in structural biology 43, 38-44, 2017 | 76 | 2017 |
| Molecular surface generation using a variable‐radius solvent probe S Bhat, EO Purisima Proteins: Structure, Function, and Bioinformatics 62 (1), 244-261, 2006 | 73 | 2006 |
| ACC inhibitors and uses thereof GC Harriman, CE Masse, J Harwood, S Bhat, JR Greenwood US Patent 8,969,557, 2015 | 64 | 2015 |
| From computer-aided drug discovery to computer-driven drug discovery L Frye, S Bhat, K Akinsanya, R Abel Drug Discovery Today: Technologies 39, 111-117, 2021 | 51 | 2021 |
| Combining cloud-based free-energy calculations, synthetically aware enumerations, and goal-directed generative machine learning for rapid large-scale chemical exploration and … P Ghanakota, PH Bos, KD Konze, J Staker, G Marques, K Marshall, ... Journal of Chemical Information and Modeling 60 (9), 4311-4325, 2020 | 38 | 2020 |
| Exploring inhibitor binding at the S′ subsites of cathepsin L SF Chowdhury, L Joseph, S Kumar, RT Shenoy, S Bhat, E Ziomek, ... Journal of medicinal chemistry 51 (5), 1361-1368, 2008 | 38 | 2008 |
| Aminopyrimidines as SYK inhibitors MD Altman, BM Andresen, KL Arrington, J Burch, KK Childers, B Cote, ... US Patent 8,551,984, 2013 | 32 | 2013 |
| Discovery of MK-8831, a novel spiro-proline macrocycle as a pan-genotypic HCV-NS3/4a protease inhibitor SF Neelamkavil, S Agrawal, T Bara, C Bennett, S Bhat, D Biswas, ... ACS Medicinal Chemistry Letters 7 (1), 111-116, 2016 | 31 | 2016 |
| Novel quinoline-based P2–P4 macrocyclic derivatives as pan-genotypic HCV NS3/4a protease inhibitors U Shah, C Jayne, S Chackalamannil, F Velázquez, Z Guo, A Buevich, ... ACS medicinal chemistry letters 5 (3), 264-269, 2014 | 29 | 2014 |
| Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis R Shi, SS Lamb, S Bhat, T Sulea, GD Wright, A Matte, M Cygler Journal of biological chemistry 282 (17), 13073-13086, 2007 | 29 | 2007 |
| 2-Aryl benzimidazoles: human SCD1-specific stearoyl coenzyme-A desaturase inhibitors DA Powell, Y Ramtohul, ME Lebrun, R Oballa, S Bhat, JP Falgueyret, ... Bioorganic & medicinal chemistry letters 20 (22), 6366-6369, 2010 | 27 | 2010 |
| Aminopyrimidines as SYK inhibitors KK Childers, AM Haidle, MR Machacek, AB Northrup US Patent 8,759,366, 2014 | 25 | 2014 |
| ACC inhibitors and uses thereof GC Harriman, CE Masse, J Harwood, S Bhat, JR Greenwood US Patent 9,453,026, 2016 | 24 | 2016 |
| ACC inhibitors and uses thereof GC Harriman, CE Masse, HJ Harwood, S Bhat, JR Greenwood US Patent 9,944,655, 2018 | 23 | 2018 |
