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3 results in Authors: Shuhao Wen

Biological and Medicinal Chemistry

A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Junjie Zou, Chunwang Peng, Shuai Liu, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang

Version 1 posted 16 October 2020

1,003

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1

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Theoretical and Computational Chemistry

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

1,043

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Materials Science

Machine Learning-Based Recommendation of Optimal Crystallization Conditions for Organic Small Molecules

Zi Li, Wenbo Fu, Bochen Li, Jia Yao, Jiuchuang Yuan, Michael Bellucci, Guangxu Sun, Zhengtian Song, Shi Liu, Zhu Lang, Jian Ma, Shuhao Wen, Qun Zeng

Version 1 posted 16 July 2024

168

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