Segui
Junmei Wang
Junmei Wang
Professor of computational chemistry/biology, School of Pharmacy, University of Pittsburgh
Email verificata su pitt.edu - Home page
Titolo
Citata da
Citata da
Anno
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
188162004
AMBER 7
DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, J Wang, WS Ross, ...
University of California, San Francisco, 9, 2002
12506*2002
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
12150*2008
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
12118*2008
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
57012021
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
55622006
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
50512003
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
47842000
AMBER 8
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 5, 39, 2004
34822004
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
34762006
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
25462010
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
15552019
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
8622001
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
7402011
Antechamber: an accessory software package for molecular mechanical calculations
J Wang, W Wang, PA Kollman, DA Case
J. Am. Chem. Soc 222, U403, 2001
6892001
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of Chemical Information and Modeling, 2012
5842012
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
5172020
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
4822015
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
4782013
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
4502016
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20