| Development and testing of a general amber force field J Wang, RM Wolf, JW Caldwell, PA Kollman, DA Case Journal of computational chemistry 25 (9), 1157-1174, 2004 | 18863 | 2004 |
| AMBER 7 DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, J Wang, WS Ross, ... University of California, San Francisco, 9, 2002 | 12467* | 2002 |
| Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008 | 12111* | 2008 |
| Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008 | 12079* | 2008 |
| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5845 | 2021 |
| Automatic atom type and bond type perception in molecular mechanical calculations J Wang, W Wang, PA Kollman, DA Case Journal of molecular graphics and modelling 25 (2), 247-260, 2006 | 5572 | 2006 |
| A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations Y Duan, C Wu, S Chowdhury, MC Lee, G Xiong, W Zhang, R Yang, ... Journal of computational chemistry 24 (16), 1999-2012, 2003 | 5054 | 2003 |
| How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J Wang, P Cieplak, PA Kollman Journal of computational chemistry 21 (12), 1049-1074, 2000 | 4786 | 2000 |
| AMBER 8 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 5, 39, 2004 | 3487 | 2004 |
| AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 45, 2006 | 3481 | 2006 |
| Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations T Hou, J Wang, Y Li, W Wang Journal of chemical information and modeling 51 (1), 69-82, 2010 | 2549 | 2010 |
| End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design E Wang, H Sun, J Wang, Z Wang, H Liu, JZH Zhang, T Hou Chemical reviews 119 (16), 9478-9508, 2019 | 1564 | 2019 |
| Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA J Wang, P Morin, W Wang, PA Kollman Journal of the American Chemical Society 123 (22), 5221-5230, 2001 | 863 | 2001 |
| Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking … T Hou, J Wang, Y Li, W Wang Journal of computational chemistry 32 (5), 866-877, 2011 | 739 | 2011 |
| Antechamber: an accessory software package for molecular mechanical calculations J Wang, W Wang, PA Kollman, DA Case J. Am. Chem. Soc 222, U403, 2001 | 691 | 2001 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling, 2012 | 596 | 2012 |
| Fast identification of possible drug treatment of coronavirus disease-19 (COVID-19) through computational drug repurposing study J Wang Journal of Chemical Information and Modeling, 2020 | 520 | 2020 |
| The application of in silico drug-likeness predictions in pharmaceutical research S Tian, J Wang, Y Li, D Li, L Xu, T Hou Advanced drug delivery reviews 86, 2-10, 2015 | 485 | 2015 |
| Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models L Xu, H Sun, Y Li, J Wang, T Hou The Journal of Physical Chemistry B 117 (28), 8408-8421, 2013 | 478 | 2013 |
| High-resolution crystal structure of the human CB1 cannabinoid receptor Z Shao, J Yin, K Chapman, M Grzemska, L Clark, J Wang, ... Nature 540 (7634), 602-606, 2016 | 451 | 2016 |
Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang University確認したメール アドレス: zju.edu.cn
