Shukai Gu

机构：Nano Carbon (Poland), Macao Polytechnic University, Zhejiang University · ORCID：0009-0001-0471-6140

发表论文 16 篇 · 总被引 245 次 · h-index 11

代表论文

• Benchmarking AI-powered docking methods from the perspective of virtual screening (2025 · Nature Machine Intelligence · 被引 47)
• Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? (2023 · Briefings in Bioinformatics · 被引 38)
• HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes (2025 · Nucleic Acids Research · 被引 36)
• CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screening (2024 · Nucleic Acids Research · 被引 30)
• Artificial intelligence methods in kinase target profiling: Advances and challenges (2023 · Drug Discovery Today · 被引 16)
• Unlocking the application potential of AlphaFold3-like approaches in virtual screening (2025 · Chemical Science · 被引 13)