Author

Junmei Wang

Professor of computational chemistry/biology, School of Pharmacy, University of Pittsburgh - Cited by 61,478 - Computational Chemistry - Force Field Development - Computational Biophysics - Drug Design - Pharmacometrics and Systems Pharmacolog

Biography

I am Junmei Wang, belonging to Department of Biochemistry, University of Texas Southwestern Medical Center, 5323 Harry Hines Boulevard, Dallas, Texas 75390-8816, USA. Interested in the field of Computational Chemistry.
Title
Cited by
Year
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...University of California, San Francisco, 2021202
4340
2021
Sulfatides are endogenous ligands for the TLR4–MD-2 complex
L Su, M Athamna, Y Wang, J Wang, M Freudenberg, T Yue, J Wang, ...Proceedings of the National Academy of Sciences 118 (30), 2021202
22
2021
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of PHF6 Peptide of Tau Protein
VH Man, X He, J Gao, J WangJournal of Chemical Theory and Computation 17 (10), 6458-6471, 2021202
19
2021
TMEM120 is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase
J Xue, Y Han, H Baniasadi, W Zeng, J Pei, N Grishin, J Wang, BP Tu, ...bioRxiv, 2021202
18
2021
In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor
Y Zhang, X He, J Zhai, B Ji, VH Man, J WangBriefings in bioinformatics, 2021202
18
2021
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein–Ligand Binding Free Energy Calculations
E Wang, W Fu, D Jiang, H Sun, J Wang, X Zhang, G Weng, H Liu, P Tao, ...Journal of Chemical Information and Modeling, 2021202
16
2021
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction
B Ji, X He, J Zhai, Y Zhang, VH Man, J WangBriefings in Bioinformatics, 2021202
14
2021
Determination of van der Waals Parameters Using a Double Exponential Potential for Nonbonded Divalent Metal Cations in TIP3P Solvent
VH Man, X Wu, X He, XQ Xie, BR Brooks, J WangJournal of Chemical Theory and Computation 17 (2), 1086-1097, 2021202
13
2021
Arf GTPase activates the WAVE regulatory complex through a distinct binding site
S Yang, Y Tang, Y Liu, AJ Brown, M Schaks, B Ding, DA Kramer, ...Science Advances 8 (50), eadd1412, 2022202
9
2022
In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators
J Yuan, C Jiang, J Wang, CJ Chen, Y Hao, G Zhao, Z Feng, XQ XieMolecules 2 (2), 453, 2022202
7
2022
Recent progress in general force fields of small molecules
X He, B Walker, VH Man, P Ren, J WangCurrent opinion in structural biology 72, 187-193, 2022202
6
2022
Phosphorylation of Tau R2 Repeat Destabilizes Its Binding to Microtubules: A Molecular Dynamics Simulation Study
VH Man, X He, J Gao, J WangACS Chemical Neuroscience, 2023202
5
2023
Drug–Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach
B Ji, Y Xue, Y Xu, S Liu, AH Gough, XQ Xie, J WangACS Chemical Neuroscience 12 (10), 1777-1790, 2021202
5
2021
Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study
VH Man, MS Li, P Derreumaux, J Wang, PH NguyenLangmuir, 2021202
5
2021
Elastic moduli of normal and cancer cell membranes revealed by molecular dynamics simulations
HL Nguyen, VH Man, MS Li, P Derreumaux, J Wang, PH NguyenPhysical Chemistry Chemical Physics 2 (10), 6225-6237, 2022202
4
2022
A multiple-step in silico screening protocol to identify allosteric inhibitors of Spike-hACE2 binding
J Zhai, X He, VH Man, Y Sun, B Ji, L Cai, J WangPhysical Chemistry Chemical Physics, 2022202
4
2022
In Silico Screen Identifies a New Family of Agonists for the Bacterial Mechanosensitive Channel MscL
R Wray, P Blount, J Wang, I IsclaAntibiotics 11 (), 33, 2022202
4
2022
Stable Cavitation Interferes with Aβ16–22 Oligomerization
VH Man, X He, J WangJournal of Chemical Information and Modeling, 2022202
3
2022
Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials
D Hao, X He, AE Roitberg, S Zhang, J WangJournal of Chemical Theory and Computation, 0
2
2022
Activation of a Bacterial Mechanosensitive Channel, MscL, Underlies the Membrane Permeabilization of Dual-Targeting Antibacterial Compounds
R Wray, J Wang, P Blount, I IsclaAntibiotics 11 (7), 970, 0
2
2022

Referred From: https://scholar.google.com/citations?user=VakW0EwAAAAJ&hl=en

Cited by
Citations 61478
h-index 67
i10-index 133
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