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Shukai Gu

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Briefings in Bioinformatics|January 22, 2023

Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?Shukai Gu, Chao Shen, Jiahui Yu, et al.

Journal of Chemical Information and Modeling|April 17, 2024

Evaluation of AlphaFold2 Structures for Hit Identification across Multiple ScenariosShukai Gu, Yuwei Yang, Yihao Zhao, et al.

Chemical Science|December 17, 2025

Unlocking the application potential of AlphaFold3-like approaches in virtual screeningChao Shen, Xujun Zhang, Shukai Gu, et al.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|December 27, 2025

Accurate Identification of Protein Binding Sites for All Drug Modalities Using ALLSitesMinjie Mou, Mingkun Lu, Zhimeng Zhou, et al.

Nucleic Acids Research|May 6, 2025

HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexesXujun Zhang, Linlong Jiang, Gaoqi Weng, et al.

Nature Communications|November 26, 2025

A virtual platform for automated hybrid organic-enzymatic synthesis planningXiaorui Wang, Xiaodan Yin, Xujun Zhang, et al.

Nature Protocols|June 24, 2026

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platformShukai Gu, Xujun Zhang, Mengwu Xiao, et al.

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Search research articles

Showing results (11-20 of 17) with videos related to

Sort By:

Pageof 2

You have reached the last page of results.This site can display upto 17 results.

Briefings in Bioinformatics|January 22, 2023

Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?Shukai Gu, Chao Shen, Jiahui Yu, et al.

Journal of Chemical Information and Modeling|April 17, 2024

Evaluation of AlphaFold2 Structures for Hit Identification across Multiple ScenariosShukai Gu, Yuwei Yang, Yihao Zhao, et al.

Chemical Science|December 17, 2025

Unlocking the application potential of AlphaFold3-like approaches in virtual screeningChao Shen, Xujun Zhang, Shukai Gu, et al.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|December 27, 2025

Accurate Identification of Protein Binding Sites for All Drug Modalities Using ALLSitesMinjie Mou, Mingkun Lu, Zhimeng Zhou, et al.

Nucleic Acids Research|May 6, 2025

HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexesXujun Zhang, Linlong Jiang, Gaoqi Weng, et al.

Nature Communications|November 26, 2025

A virtual platform for automated hybrid organic-enzymatic synthesis planningXiaorui Wang, Xiaodan Yin, Xujun Zhang, et al.

Nature Protocols|June 24, 2026

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platformShukai Gu, Xujun Zhang, Mengwu Xiao, et al.

Pageof 2