| ZINC: A Free Tool to Discover Chemistry for Biology JJ Irwin, T Sterling, MM Mysinger, ES Bolstad, RG Coleman Journal of Chemical Information and Modeling 52 (7), 1757-1768, 2012 | 2929 | 2012 |
| Structure-based maximal affinity model predicts small-molecule druggability AC Cheng, RG Coleman, KT Smyth, Q Cao, P Soulard, DR Caffrey, ... Nature biotechnology 25 (1), 71-75, 2007 | 779 | 2007 |
| Ligand discovery from a dopamine D3 receptor homology model and crystal structure J Carlsson, RG Coleman, V Setola, JJ Irwin, H Fan, A Schlessinger, A Sali, ... Nature Chemical Biology 7 (11), 769-778, 2011 | 354 | 2011 |
| Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment I Kufareva, M Rueda, V Katritch, G Dock, RC Stevens, R Abagyan Structure 19 (8), 1108-1126, 2011 | 343 | 2011 |
| Ligand Pose and Orientational Sampling in Molecular Docking RG Coleman, M Carchia, T Sterling, JJ Irwin, BK Shoichet PloS one 8 (10), e75992, 2013 | 195 | 2013 |
| Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery M Fischer, RG Coleman, JS Fraser, BK Shoichet Nature chemistry 6 (7), 575-583, 2014 | 150 | 2014 |
| Quasm: A system for question answering using semi-structured data D Pinto, M Branstein, R Coleman, WB Croft, M King, W Li, X Wei Proceedings of the 2nd ACM/IEEE-CS joint conference on Digital libraries, 46-55, 2002 | 146 | 2002 |
| Travel depth, a new shape descriptor for macromolecules: application to ligand binding RG Coleman, KA Sharp Journal of molecular biology 362 (3), 441-458, 2006 | 114 | 2006 |
| Protein pockets: inventory, shape, and comparison RG Coleman, KA Sharp Journal of chemical information and modeling 50 (4), 589-603, 2010 | 97 | 2010 |
| Finding and characterizing tunnels in macromolecules with application to ion channels and pores RG Coleman, KA Sharp Biophysical journal 96 (2), 632-645, 2009 | 72 | 2009 |
| An intuitive approach to measuring protein surface curvature RG Coleman, MA Burr, DL Souvaine, AC Cheng Proteins: Structure, Function, and Bioinformatics 61 (4), 1068-1074, 2005 | 43 | 2005 |
| Structure-based identification of small molecule binding sites using a free energy model RG Coleman, AC Salzberg, AC Cheng Journal of chemical information and modeling 46 (6), 2631-2637, 2006 | 42 | 2006 |
| Protonation of excited state pyrene-1-carboxylate by phosphate and organic acids in aqueous solution studied by fluorescence spectroscopy B Zelent, JM Vanderkooi, RG Coleman, I Gryczynski, Z Gryczynski Biophysical journal 91 (10), 3864-3871, 2006 | 38 | 2006 |
| SAMPL4 & DOCK3. 7: lessons for automated docking procedures RG Coleman, T Sterling, DR Weiss Journal of computer-aided molecular design 28, 201-209, 2014 | 30 | 2014 |
| Shape and evolution of thermostable protein structure RG Coleman, KA Sharp Proteins: Structure, Function, and Bioinformatics 78 (2), 420-433, 2010 | 25 | 2010 |
| Chemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4) RT Cameron, RG Coleman, JP Day, KC Yalla, MD Houslay, DR Adams, ... Biochemical pharmacology 85 (9), 1297-1305, 2013 | 23 | 2013 |
| Transformations and algorithms for least sum of squares hypersphere fitting. M Burr, A Cheng, R Coleman, DL Souvaine CCCG, 104-107, 2004 | 7 | 2004 |
| Thermophilic protein structure adaptation examined with Burial Depth and Travel Depth RG Coleman, KA Sharp Biophysical Journal 96, 584, 2009 | 3 | 2009 |
| Domain Decomposition Solver Status and Future Plans. RG Coleman, CR Dohrmann Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2017 | 1 | 2017 |
| DOCK 3.5. 54: Advances in the last 6 years, and benchmarking results JJ Irwin, BK Shoichet, MM Mysinger, RG Coleman, M Carchia, KT Nguyen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011 | 1 | 2011 |
Teague SterlingDirector, Head of Computational Biology在 bmrn.com 的电子邮件经过验证
