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Identification of Protein–Ligand Binding Sites by the Level-Set Variational Implicit-Solvent Approach

[Image: see text] Protein–ligand binding is a key biological process at the molecular level. The identification and characterization of small-molecule binding sites on therapeutically relevant proteins have tremendous implications for target evaluation and rational drug design. In this work, we used...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Guo, Zuojun, Li, Bo, Cheng, Li-Tien, Zhou, Shenggao, McCammon, J. Andrew, Che, Jianwei
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2015
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4410907/
https://ncbi.nlm.nih.gov/pubmed/25941465
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500867u
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