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Predicting Protein-Ligand Binding Modes for CELPP and GC3: Workflows and Insight

Drug Design Data Resource (D3R) continues to release valuable benchmarking datasets to promote improvement and development of computational methods for new drug discovery. We have developed several methods for protein-ligand binding mode prediction during the participation in the D3R challenges. In...

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Bibliografiske detaljer
Udgivet i:J Comput Aided Mol Des
Main Authors: Xu, Xianjin, Ma, Zhiwei, Duan, Rui, Zou, Xiaoqin
Format: Artigo
Sprog:Inglês
Udgivet: 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6494980/
https://ncbi.nlm.nih.gov/pubmed/30689079
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00185-0
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