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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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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Xu, Xianjin, Ma, Zhiwei, Duan, Rui, Zou, Xiaoqin
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha: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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