Junmei Wang

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Tingjun HouQiushi Professor of Pharmaceutical Science, Zhejiang UniversityPreverjeni e-poštni naslov na zju.edu.cn
Ray LuoMol Bio & Biochem; Chem & Mater Phys; Chem & Biomol Engr; Biomed Engr; Mater Sci & EngrPreverjeni e-poštni naslov na uci.edu
Piotr CieplakProfessor of Chemistry, SBP Medical Discovery InstitutePreverjeni e-poštni naslov na sbpdiscovery.org
Yong DuanUniversity of CaliforniaPreverjeni e-poštni naslov na ucdavis.edu
Wei ZhangAmazon Web ServicePreverjeni e-poštni naslov na amazon.com
David A CaseRutgers UniversityPreverjeni e-poštni naslov na biomaps.rutgers.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityPreverjeni e-poštni naslov na msu.edu
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahPreverjeni e-poštni naslov na utah.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookPreverjeni e-poštni naslov na stonybrook.edu
Taisung LeeRutgers UniversityPreverjeni e-poštni naslov na rutgers.edu
Sheng TianPhD student, Institute of Functional Nano & Soft Materials(FUNSOM), Soochow UniversityPreverjeni e-poštni naslov na suda.edu.cn
Jennifer S. BrodbeltProfessor of Chemistry, University of Texas at AustinPreverjeni e-poštni naslov na cm.utexas.edu
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum JülichPreverjeni e-poštni naslov na uni-duesseldorf.de
Qin CaiUniversity of California, IrvinePreverjeni e-poštni naslov na uci.edu
David A PearlmanQSimulatePreverjeni e-poštni naslov na alumni.stanford.edu
Alexey OnufrievVirginia TechPreverjeni e-poštni naslov na vt.edu
Robert J. WoodsProfessor of Biochemistry and Molecular BiologyPreverjeni e-poštni naslov na ccrc.uga.edu

Spremljaj

Junmei Wang

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

Preverjeni e-poštni naslov na pitt.edu - Domača stran

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


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	18789	2004
AMBER 7 DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, J Wang, WS Ross, ... University of California, San Francisco, 9, 2002	12525*	2002
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	12199*	2008
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	12174*	2008
AMBER 2015 DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ... University of California, 2015	5946*	2015
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	5581	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	5103	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	4845	2000
AMBER 8 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 5, 39, 2004	3474	2004
AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 45, 2006	3467	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	2566	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	1593	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	861	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	741	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	701	2001
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling, 2012	655	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	490	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	450	2016

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