| 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 | 25689* | 2005 |
| AMBER 10; University of California: San Francisco, 2008 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2008 | 529 | 2008 |
| 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 | 300 | 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 | 256 | 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 | 237 | 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 | 231 | 2004 |
| 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 | 215 | 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 | 214 | 2008 |
| 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 | 209 | 2007 |
| 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 | 186 | 2006 |
| 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 | 150 | 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 | 140 | 2007 |
| Characterization of Domain-Peptide Interaction Interface: A Generic Structure-based Model to Decipher the Binding Specificity of SH3 Domains* S T Hou, Z Xu, W Zhang, WA McLaughlin, DA Case, Y Xu, W Wang Molecular & cellular proteomics 8 (4), 639-649, 2009 | 130 | 2009 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 122 | 2023 |
| AMBER, version 11 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 1-300, 2010 | 120 | 2010 |
| 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 | 102 | 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 | 98 | 2004 |
| Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum J Liu, WH Miller, F Paesani, W Zhang, DA Case The Journal of chemical physics 131 (16), 2009 | 93 | 2009 |
| Predicting drug resistance of the HIV‐1 protease using molecular interaction energy components T Hou, W Zhang, J Wang, W Wang Proteins: Structure, Function, and Bioinformatics 74 (4), 837-846, 2009 | 88 | 2009 |
| Heterogeneity of large macromolecular complexes revealed by 3D cryo-EM variance analysis W Zhang, M Kimmel, CMT Spahn, PA Penczek Structure 16 (12), 1770-1776, 2008 | 88 | 2008 |
David A CaseRutgers UniversityVerified email at biomaps.rutgers.edu
