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Hydrophobic Binding Hot Spots of Bcl-xL Protein−Protein Interfaces by Cosolvent Molecular Dynamics Simulation

[Image: see text] Identifying binding hot spots in protein−protein interfaces is important for understanding the binding specificity and for the design of nonpeptide, small molecule inhibitors. Molecular dynamics simulation in the isopropanol/water cosolvent environment and in water was employed to...

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Detalhes bibliográficos
Main Authors: Yang, Chao-Yie, Wang, Shaomeng
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2011
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4018050/
https://ncbi.nlm.nih.gov/pubmed/24900309
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml100276b
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