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
SurfDock improves protein-ligand complex prediction by integrating multiple protein representations into a diffusion model, achieving higher accuracy and physical plausibility than existing methods.
Nature Methods · Nov 27, 2024Peer-reviewedBioinformatics