Mingjun Yang - Shenzhen Jingtai Technol Co Ltd, XtalPi Inc

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Papers共 44 篇Author StatisticsCo-AuthorSimilar Experts

By YearBy Citation主题筛选期刊级别筛选合作者筛选合作机构筛选

A Foundation Model for Protein-Ligand Affinity Prediction Through Jointly Optimizing Virtual Screening and Hit-to-lead Optimization

Bin Feng,Zijing Liu,Mingjun Yang, Junjie Zou,He Cao,Yu Li, Lei Zhang,Sheng Wang

biorxiv（2025）

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Predicting Mutation-Induced Relative Protein-Ligand Binding Affinity Changes Via Conformational Sampling and Diversity Integration with Subsampled Alphafold2 in Few-Shot Learning

Liangxu Xie, Xiaohua Lu,Dawei Zhang, Lei Xu,Mingjun Yang,Young-Seob Jeong,Shan Chang, Xiaojun Xu

biorxiv（2025）

Cited0Views0Bibtex

Evolving Drug Discovery Using AI, Automation, and ASMS Through an Integrated D-preMTA-MTA Strategy for Target-Focused Library Exploration

Songling Ma, Chenming Hu, Tong Wang, Fangjun Shi,Chuanfang Zhao, Na Wang, Minghui Yang, Jun Yan, Jie Luo,Mingjun Yang, Peiyu Zhang,Lipeng Lai, Jian Ma

crossref（2024）

Cited1Views0Bibtex

Application Scenario-Oriented Molecule Generation Platform Developed for Drug Discovery

Lianjun Zheng, Fangjun Shi,Chunwang Peng, Min Xu, Fangda Fan, Yuanpeng Li, Lin Zhang,Jiewen Du,Zonghu Wang,Zhixiong Lin, Yina Sun,Chenglong Deng,Xinli Duan,Lin Wei,Chuanfang Zhao, Lei Fang, Peiyu Zhang,Songling Ma,Lipeng Lai,Mingjun Yang

METHODS（2024）

Cited1Views0WOSBibtex

Does Machine Learning Learn the Physics for Pose Ranking of Fragment-Sized Ligands? A Comparison between Machine Learning and Physics-based Methods

Xiao Wan, Bai Xue,Michael Bellucci,Zhixiong Lin,Mingjun Yang,Junjie Zou

crossref（2024）

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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 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

JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 2 (2023): 799-818

Cited1Views0WOSBibtex

Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study

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

Journal of Chemical Information and Modeling（2023）

Cited5Views0WOSEIBibtex

Boosting the Predictive Performance with Aqueous Solubility Dataset Curation

Jintao Meng,Peng Chen,Mohamed Wahib,Mingjun Yang,Liangzhen Zheng,Yanjie Wei,Shengzhong Feng,Wei Liu

Scientific Data（2022）

Cited15Views0WOSNATUREBibtex

Toward Accurate and Efficient Dynamic Computational Strategy for Heterogeneous Catalysis: Temperature-dependent Thermodynamics and Kinetics for the Chemisorbed On-Surface CO

Jun Chen,Tan Jin,Yihuang Jiang,Tonghao Shen,Mingjun Yang,Zhe-Ning Chen

Chinese Chemical Letters（2022）

Cited7Views0Bibtex

Efficient Dynamic Computational Strategy for Heterogeneous Catalysis Based on Neural Network Potential Energy Surface: A Case Study of Temperature-Dependent Thermodynamics and Kinetics for the Chemisorbed On-Surface CO

Jun Chen,Tan Jin,Tonghao Shen,Mingjun Yang,Zhe-Ning Chen

crossref（2021）

Cited0Views0Bibtex

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