| Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein− ligand complexes RA Friesner, RB Murphy, MP Repasky, LL Frye, JR Greenwood, ... Journal of medicinal chemistry 49 (21), 6177-6196, 2006 | 6347 | 2006 |
| Epik: a software program for pK a prediction and protonation state generation for drug-like molecules JC Shelley, A Cholleti, LL Frye, JR Greenwood, MR Timlin, M Uchimaya Journal of computer-aided molecular design 21, 681-691, 2007 | 1747 | 2007 |
| Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences AD Bochevarov, E Harder, TF Hughes, JR Greenwood, DA Braden, ... International Journal of Quantum Chemistry 113 (18), 2110-2142, 2013 | 1691 | 2013 |
| Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ... Journal of the American Chemical Society 137 (7), 2695-2703, 2015 | 1092 | 2015 |
| Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution JR Greenwood, D Calkins, AP Sullivan, JC Shelley Journal of computer-aided molecular design 24 (6), 591-604, 2010 | 917 | 2010 |
| 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 | 421 | 2016 |
| Docking covalent inhibitors: a parameter free approach to pose prediction and scoring K Zhu, KW Borrelli, JR Greenwood, T Day, R Abel, RS Farid, E Harder Journal of chemical information and modeling 54 (7), 1932-1940, 2014 | 383 | 2014 |
| Assessing the performance of OMEGA with respect to retrieving bioactive conformations J Boström, JR Greenwood, J Gottfries Journal of Molecular Graphics and Modelling 21 (5), 449-462, 2003 | 358 | 2003 |
| 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 | 277 | 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 | 264 | 2019 |
| Deorphanization of GPRC6A: a promiscuous L-α-amino acid receptor with preference for basic amino acids P Wellendorph, KB Hansen, A Balsgaard, JR Greenwood, J Egebjerg, ... Molecular pharmacology 67 (3), 589-597, 2005 | 234 | 2005 |
| 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 | 144 | 2012 |
| Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups AD Bochevarov, MA Watson, JR Greenwood, DM Philipp Journal of chemical theory and computation 12 (12), 6001-6019, 2016 | 137 | 2016 |
| Competitive antagonism of AMPA receptors by ligands of different classes: crystal structure of ATPO bound to the GluR2 ligand-binding core, in comparison with DNQX A Hogner, JR Greenwood, T Liljefors, ML Lunn, J Egebjerg, IK Larsen, ... Journal of medicinal chemistry 46 (2), 214-221, 2003 | 124 | 2003 |
| IRAK inhibitors and uses thereof DL Romero, S Robinson, MD Wessel, JR Greenwood US Patent 9,085,586, 2015 | 112 | 2015 |
| WScore: a flexible and accurate treatment of explicit water molecules in ligand–receptor docking RB Murphy, MP Repasky, JR Greenwood, I Tubert-Brohman, S Jerome, ... Journal of medicinal chemistry 59 (9), 4364-4384, 2016 | 95 | 2016 |
| Irak inhibitors and uses thereof GC Harriman, DL Romero, CE Masse, S Robinson, MD Wessel, ... US Patent App. 13/939,832, 2014 | 87 | 2014 |
| Improving database enrichment through ensemble docking S Rao, PC Sanschagrin, JR Greenwood, MP Repasky, W Sherman, ... Journal of computer-aided molecular design 22, 621-627, 2008 | 84 | 2008 |
| 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 | 75 | 2017 |
| Structure-activity relationships of selective GABA uptake inhibitors S Hog, JR Greenwood, KB Madsen, OM Larsson, B Frolund, ... Current topics in medicinal chemistry 6 (17), 1861-1882, 2006 | 75 | 2006 |
Hans Bräuner-OsborneProfessor of Molecular Pharmacology, University of CopenhagenVerified email at sund.ku.dk
