SurfDock is a surface-informed diffusion generative model for reliable and accurate protein-ligand complex prediction.

已完结 10 由 phyjun 发布于 2025/1/22 13:38:42

DOI:10.1038/s41592-024-02516-y
作者：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
文献类型：期刊论文
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Nature

Abstract：Accurately predicting protein-ligand interactions is crucial for understanding cellular processes. We introduce SurfDock, a deep-learning method that addresses this challenge by integrating

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