Articoli con mandati relativi all'accesso pubblico - Junmei WangUlteriori informazioni
Non disponibili pubblicamente: 13
Drug-likeness analysis of traditional Chinese medicines: prediction of drug-likeness using machine learning approaches
S Tian, J Wang, Y Li, X Xu, T Hou
Molecular pharmaceutics 9 (10), 2875-2886, 2012
Mandati: US National Institutes of Health
Deep convolutional generative adversarial network (dcGAN) models for screening and design of small molecules targeting cannabinoid receptors
Y Bian, J Wang, JJ Jun, XQ Xie
Molecular pharmaceutics 16 (11), 4451-4460, 2019
Mandati: US Department of Defense, US National Institutes of Health
Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding …
B Ji, S Liu, X He, VH Man, XQ Xie, J Wang
ACS Chemical Neuroscience 11 (8), 1139-1158, 2020
Mandati: US National Institutes of Health
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein–Ligand Binding Affinities
E Wang, H Liu, J Wang, G Weng, H Sun, Z Wang, Y Kang, T Hou
Journal of Chemical Information and Modeling, 2020
Mandati: National Natural Science Foundation of China
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, 2021
Mandati: National Natural Science Foundation of China
Molecular mechanism of the cell membrane pore formation induced by bubble stable cavitation
VH Man, PM Truong, MS Li, J Wang, NT Van-Oanh, P Derreumaux, ...
The Journal of Physical Chemistry B 123 (1), 71-78, 2018
Mandati: US National Science Foundation, US National Institutes of Health
Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization
VH Man, X He, B Ji, S Liu, XQ Xie, J Wang
Journal of Chemical Theory and Computation, 2020
Mandati: US National Institutes of Health
New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906)
S Liu, X He, VH Man, B Ji, J Liu, J Wang
Physical Chemistry Chemical Physics 21 (42), 23501-23513, 2019
Mandati: US National Institutes of Health, National Natural Science Foundation of China
Accelerated conformational entropy calculations using graphic processing units
Q Zhang, J Wang, GD Guerrero, JM Cecilia, JM García, Y Li, ...
Journal of chemical information and modeling 53 (8), 2057-2064, 2013
Mandati: Government of Spain
Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii …
Y Sun, X He, T Hou, L Cai, VH Man, J Wang
Journal of Computational Chemistry, 2023
Mandati: US National Science Foundation, US National Institutes of Health
Molecular Generation with Reduced Labeling through Constraint Architecture
J Wang, Y Zeng, H Sun, J Wang, X Wang, R Jin, M Wang, X Zhang, D Cao, ...
Journal of Chemical Information and Modeling, 2023
Mandati: National Natural Science Foundation of China
In silico chemogenomics knowledgebase and computational system neuropharmacology approach for cannabinoid drug research
XQ Xie, L Wang, J Wang, Z Xie, P Yang, Q Ouyang
Neuropathology of Drug Addictions and Substance Misuse, 183-195, 2016
Mandati: US National Institutes of Health
Development And Test of Highly Accurate Endpoint Free Energy Methods. 3: Partition Coefficient Prediction Using a Poisson-Boltzmann Method Combined with Solvent Accessible …
T Niu, X He, F Han, L Wang, J Wang
Physical Chemistry Chemical Physics, 2023
Mandati: US National Science Foundation, US National Institutes of Health
Disponibili pubblicamente: 115
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
Mandati: US National Institutes of Health
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
Mandati: US National Institutes of Health, National Natural Science Foundation of China
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
Mandati: US National Institutes of Health
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
Mandati: US National Institutes of Health
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
Mandati: National Natural Science Foundation of China
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
Mandati: US Department of Energy, US National Institutes of Health
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of Chemical Information and Modeling, 2012
Mandati: US National Institutes of Health, German Research Foundation
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