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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Zhengdan Zhu

5 results in Authors: Zhengdan Zhu

Physical Chemistry

SAMPL6 Host-Guest Binding Affinities and Binding Poses from Spherical-Coordinates-Biased Simulations

Zhaoxi Sun, Qiaole He, Xiao Li, Zhengdan Zhu

651

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Theoretical and Computational Chemistry

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

Yuejiang Yu, Chun Cai, Zhengdan Zhu, Hang Zheng

983

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Theoretical and Computational Chemistry

D3Targets-2019-nCoV: A Web Server to Identify Potential Targets for Antivirals Against 2019-nCoV

Yulong Shi, Xinben Zhang, Kaijie Mu, Cheng Peng, Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Zhijian Xu, weiliang zhu

1,280

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2

Citations

Theoretical and Computational Chemistry

D3Similarity: A Ligand-Based Approach for Predicting Drug Targets and for Virtual Screening of Active Compounds Against COVID-19

Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Xinben Zhang, Kaijie Mu, Yulong Shi, Cheng Peng, Zhijian Xu, weiliang zhu

1,220

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4

Citations

Theoretical and Computational Chemistry

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

Cheng Peng, Zhengdan Zhu, Yulong Shi, Xiaoyu Wang, Kaijie Mu, Yanqing Yang, Xinben Zhang, Zhijian Xu, weiliang zhu

2,986

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1

Citations