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8 results in Authors: Hang Zheng

Theoretical and Computational Chemistry

Working Paper

Uni-GBSA: An Automatic Workflow to Perform MM/GB(PB)SA Calculations for Virtual Screening

Maohua Yang, Dongdong Wang, Hang Zheng

Version 1 posted 29 September 2022

532

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Theoretical and Computational Chemistry

Working Paper

Synergistic Application of Molecular Docking and Machine Learning for Improved Protein-Ligand Binding Pose Prediction

He Yang, Hongrui Lin, Yannan Yuan, Yaqi Li, Rongfeng Zou, Gengmo Zhou, Linfeng Zhang, Hang Zheng

Version 1 posted 11 September 2023

724

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Organic Chemistry

Working Paper

P(III) vs. P(V): A P(V) Reagent for Thiophosphoramidate Linkages and Application to An Asymmetric Synthesis of a Cyclic Dinucleotide STING Agonist

Bin Zheng, Chao Hang, Jason Zhu, Geoffrey Purdum, Melda Sezen-Edmonds, Daniel Treitler, Miao Yu, Changxia Yuan, Ye Zhu, Adam Freitag, Siwei Guo, Guanghui Zhu, Benjamin Hritzko, James Paulson, Jonanthan Shackman, Brian He, Weiqing Fu, HuaChia Tai, Sloan Ayers, Hyunsoo Park, Martin Eastgate, Benjamin Cohen, Amanda Rogers, Qinggang Wang, Michael A. Schmidt

Version 1 posted 16 March 2021

843

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Materials Science

Working Paper

Tuning Organelle Specificity and Photodynamic Therapy Efficiency by Molecular Function Design

zhiyang liu, hang zou, zheng zhao, Pengfei Zhang, Guogang shan, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Lei Zheng, Ben Zhong Tang

Version 1 posted 08 July 2019

969

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Theoretical and Computational Chemistry

Working Paper

Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Gengmo Zhou, Zhifeng Gao, Qiankun Ding, Hang Zheng, Hongteng Xu, Zhewei Wei, Linfeng Zhang, Guolin Ke

Version 4 posted 07 March 2023

20,197

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Theoretical and Computational Chemistry

Working Paper

Uni-Dock: A GPU-Accelerated Docking Program Enables Ultra-Large Virtual Screening

Yuejiang Yu, Chun Cai, Zhengdan Zhu, Hang Zheng

Version 1 posted 19 July 2022

2,434

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Analytical Chemistry

Working Paper

Turning on Light Emission of a Dark Pro-AIEgen in Aqueous Media through Reductase-Modulated Derotation

Changhuo Xu, hang zou, zheng zhao, Zheng Zheng, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Herman H.-Y. Sung, ian duncan williams, Lei Zheng, Ben Zhong Tang

Version 1 posted 16 November 2020

395

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Theoretical and Computational Chemistry

Working Paper

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Guolin Ke, Zhewei Wei, Zhifeng Gao, Hang Zheng

Version 1 posted 28 August 2023

1,227

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8 results in Hang Zheng in Authors: Hang Zheng

Uni-GBSA: An Automatic Workflow to Perform MM/GB(PB)SA Calculations for Virtual Screening

Synergistic Application of Molecular Docking and Machine Learning for Improved Protein-Ligand Binding Pose Prediction

P(III) vs. P(V): A P(V) Reagent for Thiophosphoramidate Linkages and Application to An Asymmetric Synthesis of a Cyclic Dinucleotide STING Agonist

Tuning Organelle Specificity and Photodynamic Therapy Efficiency by Molecular Function Design

Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Uni-Dock: A GPU-Accelerated Docking Program Enables Ultra-Large Virtual Screening

Turning on Light Emission of a Dark Pro-AIEgen in Aqueous Media through Reductase-Modulated Derotation

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

8 results in Authors: Hang Zheng