Shu-Hao Wen - Dalian Institute of Chemical Physics, Chinese Academy of Sciences

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论文共 44 篇作者统计合作学者相似作者

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Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship Between Nirmatrelvir Solid Forms (Paxlovid)

Maryam Sadat Sadeghi, Rui Guo,Michael A. Bellucci, Jaypee Quino, Erika Louise Buckle,Matthew L. Nisbet,Zhuocen Yang,Chandler Greenwell, Danielle E. Gorka,Frank C. Pickard,Geoffrey P. F. Wood,Guangxu Sun,Shu-Hao Wen,Joseph F. Krzyzaniak,Paul A. Meenan,Bruno C. Hancock, Xiaojing Helen Yang

MOLECULAR PHARMACEUTICSno. 8 (2024): 3800-3814

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Highly Efficient Crystallization Studies Through Machine Learning and Automation

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

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

引用1浏览0WOS引用

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

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

Journal of Chemical Information and Modeling（2021）

引用19浏览0WOSEI引用

Overcoming the Difficulties of Predicting Conformational Polymorph Energetics in Molecular Crystals Via Correlated Wavefunction Methods

Chandler Greenwell,Jessica L. McKinley,Peiyu Zhang,Qun Zeng,Guangxu Sun,Bochen Li,Shuhao Wen,Gregory J. O. Beran

Chemical Science（2020）

引用49浏览0WOS引用

Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin

Mingjun Yang,Eric Dybeck,Guangxu Sun,Chunwang Peng,Brian Samas,Virginia M. Burger,Qun Zeng,Yingdi Jin,Michael A. Bellucci,Yang Liu, Peiyu Zhang, Jian Ma, Yide Alan Jiang,Bruno C. Hancock,Shuhao Wen,Geoffrey P. F. Wood

Crystal Growth & Design（2020）

引用30浏览0引用

Overcoming the Difficulties of Predicting Conformational Polymorph Energetics in Molecular Crystals Via Correlated Wavefunction Methods† †electronic Supplementary Information (ESI) Available: Additional Computational Details, Tables of Energies, Analysis of Model Convergence, & Optimized Crystal Str

Chandler Greenwell, J. McKinley,Peiyu Zhang, Q. Zeng,Guangxu Sun,Bochen Li,Shuhao Wen, G. Beran

Chemical Science (2020): 2200-2214

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Quantifying the Fast Dynamics of HClO in Living Cells by a Fluorescence Probe Capable of Responding to Oxidation and Reduction Events Within the Time Scale of Milliseconds

Peng Li,Yan Jia,Ningjiu Zhao,Yanan Zhang,Panwang Zhou,Zhangrong Lou,Yan Qiao,Peiyu Zhang,Shuhao Wen,Keli Han

Analytical Chemistry（2020）

引用23浏览0WOS引用

A Fluorophore's Electron-Deficiency Does Matter in Designing High-Performance Near-Infrared Fluorescent Probes

Xue-Xiang Zhang,Huan Qi,Ya-Lan Liu,Song-Qiu Yang,Peng Li,Yan Qiao,Pei-Yu Zhang,Shu-Hao Wen,Hai-long Piao,Ke-Li Han

CHEMICAL SCIENCE（2020）

引用13浏览0WOS引用

Harnessing Cloud Architecture for Crystal Structure Prediction Calculations

Peiyu Zhang,Geoffrey P. F. Wood, Jian Ma,Mingjun Yang,Yang Liu,Guangxu Sun, Yide A. Jiang,Bruno C. Hancock,Shuhao Wen

CRYSTAL GROWTH & DESIGN（2018）

引用46浏览0引用

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