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6 results in Authors: Junmei Wang

Theoretical and Computational Chemistry

Working Paper

Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study

Junmei Wang

Version 1 posted 21 February 2020

4,973

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Theoretical and Computational Chemistry

Working Paper

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

1,189

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Theoretical and Computational Chemistry

Working Paper

Toward Predicting Solubility of Arbitrary Solutes in Arbitrary Solvents. 1: Prediction of Density and Refractive Index Using Machine Learning Algorithms with correlation-group parallel feature analysis

Brian Hu, Jingchen Zhai, Xiguang Qi, Xibing He, Junmei Wang

Version 1 posted 01 November 2023

172

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Theoretical and Computational Chemistry

Working Paper

Accurate Free Energy Calculation via Multiscale Simulations Driven by Hybrid Machine Learning and Molecular Mechanics Potentials

Xujian Wang, Junmei Wang, Xiongwu Wu, Bernard Brooks

Version 1 posted 08 November 2024

293

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Theoretical and Computational Chemistry

Working Paper

Development of Machine Learning Models to Predict a Chemical’s Anti-SARS-CoV-2 Activities

Beihong Ji, Yuhui Wu, Elena N Thomas, Jocelyn N Edwards, Xibing He, Junmei Wang

Version 1 posted 04 May 2022

172

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Biological and Medicinal Chemistry

Working Paper

Binding Profile Assessment of N501Y: a More Infectious Mutation on the Receptor Binding Domain of SARS-CoV-2 Spike Protein

Yuzhao Zhang, Xibing He, Viet Hoang Man, Jingchen Zhai, Beihong Ji, Junmei Wang

Version 2 posted 08 February 2021

716

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6 results in Junmei Wang in Authors: Junmei Wang

Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Toward Predicting Solubility of Arbitrary Solutes in Arbitrary Solvents. 1: Prediction of Density and Refractive Index Using Machine Learning Algorithms with correlation-group parallel feature analysis

Accurate Free Energy Calculation via Multiscale Simulations Driven by Hybrid Machine Learning and Molecular Mechanics Potentials

Development of Machine Learning Models to Predict a Chemical’s Anti-SARS-CoV-2 Activities

Binding Profile Assessment of N501Y: a More Infectious Mutation on the Receptor Binding Domain of SARS-CoV-2 Spike Protein

6 results in Authors: Junmei Wang