SurfDock is a surface-informed diffusion generative model for reliable and accurate protein–ligand complex prediction
Duanhua Cao, Mingan Chen, Runze Zhang, Zhaokun Wang, Manlin Huang, Jie Yu, Xinyu Jiang, Zhehuan Fan, Wei Zhang, Hao Zhou, Xutong Li, Zunyun Fu, Sulin Zhang, Mingyue Zheng
Topics & Concepts
Computer scienceGenerative grammarComputational biologyProtein ligandArtificial intelligenceMachine learningBiologyBiochemistryProtein Structure and DynamicsBioinformatics and Genomic NetworksMicrobial Metabolic Engineering and Bioproduction