Concepedia
Statistics
Publications
8
Citations
176
H-Index
Active since
2023
Affiliations
Zhejiang University(Current)
First Affiliated Hospital Zhejiang University
Zhejiang Lab
Macao Polytechnic University
Nano Carbon (Poland)
Shukai Gu is an author at Zhejiang University specializing in virtual screening, molecular docking, and computational drug discovery.
Publications per year
2023–2025
Benchmarking AI-powered docking methods from the perspective of virtual screening
Shukai Gu, Chao Shen, Xujun Zhang et al. · Nature Machine Intelligence · 2025 · 39 citations
Life Sciences, Bioinformatics, Computer Science +10
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?
Shukai Gu, Chao Shen, Jiahui Yu et al. · Briefings in Bioinformatics · 2023 · 37 citations · Full text
Pharmacy, Chemistry, Medicinal Chemistry +17
HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes
Xujun Zhang, Linlong Jiang, Gaoqi Weng et al. · Nucleic Acids Research · 2025 · 29 citations · Full text
Life Sciences, Bioinformatics, Molecular Biology +17
CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screening
Hongyan Du, Xujun Zhang, Odin Zhang et al. · Nucleic Acids Research · 2024 · 28 citations · Full text
Pharmacy, Medicinal Chemistry, Pharmacology +17
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems
Yihao Zhao, Jintu Zhang, Haotian Zhang et al. · The Journal of Physical Chemistry Letters · 2023 · 11 citations
Natural Sciences, Biophysics, Computational Biophysics +16
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