Mingjun Yang

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 7

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
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. Journal of chemical theory and computation (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
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. Journal of chemical theory and computation 20 (2) (2023)
Lin Wei, Min Xu, Zhiqiang Liu, Chongguo Jiang, Xiaohua Lin, Yaogang Hu, Xiaoming Wen, Rongfeng Zou, Chunwang Peng, Hongrui Lin, Guo Wang, Lijun Yang, Lei Fang, Mingjun Yang, Peiyu Zhang
Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study. Journal of chemical information and modeling (2023)
Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan M Mathiowetz, Benjamin J Burke, Robert A Kumpf, Brajesh K Rai, Geoffrey P F Wood, Frank C Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Yide Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang
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. Journal of chemical theory and computation 20 (2) (2023)
Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery. Journal of chemical information and modeling 61 (6) (2021)
Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang
Correction to "A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery". Journal of chemical information and modeling 61 (9) (2021)
Junjie Zou, Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan, Zhixiong Lin, Tai-Sung Lee, Daniel P Raleigh, Mingjun Yang, Carlos L Simmerling
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies. Journal of chemical theory and computation 17 (6) (2021)