Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models

Protein-ligand structure prediction is an essential task in drug discovery, predicting the binding interactions between small molecules (ligands) and target proteins (receptors). Recent advances have incorporated deep learning techniques to improve the accuracy of protein-ligand structure prediction...

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Hauptverfasser:	Liu, Lihang, Zhang, Shanzhuo, He, Donglong, Ye, Xianbin, Zhou, Jingbo, Zhang, Xiaonan, Jiang, Yaoyao, Diao, Weiming, Yin, Hang, Chai, Hua, Wang, Fan, He, Jingzhou, Zheng, Liang, Li, Yonghui, Fang, Xiaomin
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Computational Engineering, Finance, and Science Computer Science - Learning Quantitative Biology - Biomolecules
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