Junmei Wang

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Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang UniversityEmail verificata su zju.edu.cn
Ray LuoMolecular Biology and Biochemistry, Biomedical Engineering, and Chemical and BiomolecularEmail verificata su uci.edu
Piotr CieplakProfessor of Chemistry, SBP Medical Discovery InstituteEmail verificata su sbpdiscovery.org
Yong DuanUniversity of CaliforniaEmail verificata su ucdavis.edu
David A CaseRutgers UniversityEmail verificata su biomaps.rutgers.edu
Wei ZhangAmazon Web ServiceEmail verificata su amazon.com
Taisung LeeRutgers UniversityEmail verificata su rutgers.edu
Sheng TianPhD student, Institute of Functional Nano & Soft Materials(FUNSOM), Soochow UniversityEmail verificata su suda.edu.cn
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookEmail verificata su stonybrook.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityEmail verificata su msu.edu
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahEmail verificata su utah.edu
David A PearlmanQSimulateEmail verificata su alumni.stanford.edu
Jennifer S. BrodbeltProfessor of Chemistry, University of Texas at AustinEmail verificata su cm.utexas.edu
Qin CaiUniversity of California, IrvineEmail verificata su uci.edu
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum JülichEmail verificata su uni-duesseldorf.de
Alexey OnufrievVirginia TechEmail verificata su vt.edu
Robert J. WoodsProfessor of Biochemistry and Molecular BiologyEmail verificata su ccrc.uga.edu

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Junmei Wang

Professor of computational chemistry/biology, School of Pharmacy, University of Pittsburgh

Email verificata su pitt.edu - Home page

Computational Chemistry Force Field Development Computational Biophysics Drug Design Pharmacometrics and Systems Pharmacolog


Titolo Ordina per citazioni Ordina per anno Ordina per 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	18390	2004
AMBER 7 DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, J Wang, WS Ross, ... University of California, San Francisco, 9, 2002	12408*	2002
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	12051*	2008
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	12020*	2008
Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021	5776	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	5460	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	5008	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	4756	2000
AMBER 8 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 5, 39, 2004	3481	2004
AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 45, 2006	3475	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	2504	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	1447	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	859	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	726	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	672	2001
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	509	2020
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	472	2013
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	460	2015
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	442	2016
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling, 2012	427	2012

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