| The Amber biomolecular simulation programs DA Case, TE Cheatham III, T Darden, H Gohlke, R Luo, KM Merz Jr, ... Journal of computational chemistry 26 (16), 1668-1688, 2005 | 21981* | 2005 |
| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5892 | 2023 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 612 | 2023 |
| ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach TJ Hou, K Xia, W Zhang, XJ Xu Journal of chemical information and computer sciences 44 (1), 266-275, 2004 | 319 | 2004 |
| An accurate and simple quantum model for liquid water F Paesani, W Zhang, DA Case, TE Cheatham, GA Voth The Journal of chemical physics 125 (18), 2006 | 268 | 2006 |
| ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification T Hou, J Wang, W Zhang, X Xu Journal of chemical information and modeling 47 (1), 208-218, 2007 | 260 | 2007 |
| ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties TJ Hou, W Zhang, K Xia, XB Qiao, XJ Xu Journal of chemical information and computer sciences 44 (5), 1585-1600, 2004 | 242 | 2004 |
| ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules? T Hou, J Wang, W Zhang, X Xu Journal of Chemical Information and Modeling 47 (2), 460-463, 2007 | 224 | 2007 |
| GTPase activation of elongation factor EF‐Tu by the ribosome during decoding JC Schuette, FV Murphy IV, AC Kelley, JR Weir, J Giesebrecht, ... The EMBO journal 28 (6), 755-765, 2009 | 221 | 2009 |
| Characterization of domain–peptide interaction interface: a case study on the amphiphysin-1 SH3 domain T Hou, W Zhang, DA Case, W Wang Journal of Molecular Biology 376 (4), 1201-1214, 2008 | 219 | 2008 |
| AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012 | 203 | 2012 |
| Recent advances in computational prediction of drug absorption and permeability in drug discovery T Hou, J Wang, W Zhang, W Wang, X Xu Current medicinal chemistry 13 (22), 2653-2667, 2006 | 195 | 2006 |
| San Francisco: University of California; 2008 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... AMBER10.[Academic Search], 2004 | 164 | 2004 |
| San Francisco: University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... | 154 | 2016 |
| A 3D structure database of components from Chinese traditional medicinal herbs X Qiao, T Hou, W Zhang, SL Guo, X Xu Journal of chemical information and computer sciences 42 (3), 481-489, 2002 | 154 | 2002 |
| Development of reliable aqueous solubility models and their application in druglike analysis J Wang, G Krudy, T Hou, W Zhang, G Holland, X Xu Journal of chemical information and modeling 47 (4), 1395-1404, 2007 | 143 | 2007 |
| Characterization of domain-peptide interaction interface: a generic structure-based model to decipher the binding specificity of SH3 domains T Hou, Z Xu, W Zhang, WA McLaughlin, DA Case, Y Xu, W Wang Molecular & Cellular Proteomics 8 (4), 639-649, 2009 | 134 | 2009 |
| AMBER, version 10 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, CA, 2008 | 114 | 2008 |
| Recent developments of in silico predictions of intestinal absorption and oral bioavailability T Hou, Y Li, W Zhang, J Wang Combinatorial Chemistry & High Throughput Screening 12 (5), 497-506, 2009 | 107 | 2009 |
| Antiviral compounds from traditional Chinese medicines Galla Chinese as inhibitors of HCV NS3 protease D Duan, Z Li, H Luo, W Zhang, L Chen, X Xu Bioorganic & medicinal chemistry letters 14 (24), 6041-6044, 2004 | 105 | 2004 |
David A CaseRutgers Universitybiomaps.rutgers.edu의 이메일 확인됨
