Shi, Leilei

DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

Lu, W., Zhang, J.-X., Huang, W., Zhang, Z., Jia, X., Wang, Z., Shi, L., Li, C., Wolynes, P., & Zheng, S. (2023) · Nature Communications

Computational Drug Discovery MethodsProtein Structure and Dynamics

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