Duanhua Cao

机构：Tongji University, Chinese Academy of Sciences, Shanghai Institute of Materia Medica, Zhejiang Lab, Drug Discovery Laboratory (Norway), Center for Discovery, Artificial Intelligence in Medicine (Canada), University of Chinese Academy of Sciences, Zhejiang University · ORCID：0009-0006-0140-7998

发表论文 42 篇 · 总被引 270 次 · h-index 6

代表论文

• Flexible protein–ligand docking with diffusion-based side-chain packing (2025 · Proceedings of the National Academy of Sciences · 被引 2)
• Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language (2026 · Nature Machine Intelligence · 被引 1)
• Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs (2026 · Briefings in Bioinformatics · 被引 1)
• Intelligent-Drug-Discovery-Lab/MolGenBench: release_v1 (2026 · Open MIND)
• Intelligent-Drug-Discovery-Lab/MolGenBench: release_v1 (2026 · Zenodo (CERN European Organization for Nuclear Research))
• CACHE Challenge #4: Targeting the TKB Domain of the E3 ligase CBLB, an Immuno-Oncology Target (2026 · ChemRxiv)