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9 results in Authors: Zhijian Xu

Theoretical and Computational Chemistry

Working Paper

Predicting the Potential Effect of E484K Mutation on the Binding of 28 Antibodies to the Spike Protein of SARS-CoV-2 by Molecular Dynamics Simulation and Free Energy Calculation

Leyun Wu, Cheng Peng, Zhijian Xu, weiliang zhu

592

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Biological and Medicinal Chemistry

Working Paper

Network Representation Learning-Based Drug Mechanism Discovery and Anti-Inflammatory Response Against COVID-19

Wang Xiaoqi, Bin Xin, Zhijian Xu, Kenli LI, Fei Li, Wu Zhong, Weihong Tan, Shaoliang Peng

1,173

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Theoretical and Computational Chemistry

Working Paper

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

1,278

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Theoretical and Computational Chemistry

Working Paper

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

2,979

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Theoretical and Computational Chemistry

Working Paper

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Leyun Wu, Liping Zhou, Mengxia Mo, Yishui Li, Jiaxin Han, Jintian Li, Yanqing Yang, Xinben Zhang, Chunye Gong, Kai Lu, Likun Gong, Chengkun Wu, Weiliang Zhu, Zhijian Xu

1,002

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Theoretical and Computational Chemistry

Working Paper

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

Liping Zhou, Leyun Wu, Cheng Peng, Yanqing Yang, Yulong Shi, Zhijian Xu, Weiliang Zhu

514

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Catalysis

Working Paper

Asymmetric Potential Barrier Lowering Promotes Photocatalytic Nonoxidative Dehydrogenation of Anhydrous Methanol

Kun Jia, Xuhui Wei, Yang Xu, Zhijian Wang, Jiazang Chen

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Theoretical and Computational Chemistry

Working Paper

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

1,218

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Biological and Medicinal Chemistry

Working Paper

Nelfinavir Is Active Against SARS-CoV-2 in Vero E6 Cells

Zhijian Xu, Hangping Yao, Jingshan Shen, Nanping Wu, Yechun Xu, Xiangyun Lu, weiliang zhu, Lan-Juan Li

1,973

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9 results in Zhijian Xu in Authors: Zhijian Xu

Predicting the Potential Effect of E484K Mutation on the Binding of 28 Antibodies to the Spike Protein of SARS-CoV-2 by Molecular Dynamics Simulation and Free Energy Calculation

Network Representation Learning-Based Drug Mechanism Discovery and Anti-Inflammatory Response Against COVID-19

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

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

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

Asymmetric Potential Barrier Lowering Promotes Photocatalytic Nonoxidative Dehydrogenation of Anhydrous Methanol

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

Nelfinavir Is Active Against SARS-CoV-2 in Vero E6 Cells

9 results in Authors: Zhijian Xu