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Investigate the Binding of Catechins to Trypsin Using Docking and Molecular Dynamics Simulation

To explore the inhibitory mechanism of catechins for digestive enzymes, we investigated the binding mode of catechins to a typical digestive enzyme-trypsin and analyzed the structure-activity relationship of catechins, using an integration of molecular docking, molecular dynamics simulation and bind...

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Detalles Bibliográficos
Autores principales:	Cui, Fengchao, Yang, Kecheng, Li, Yunqi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4418572/ https://www.ncbi.nlm.nih.gov/pubmed/25938485 http://dx.doi.org/10.1371/journal.pone.0125848

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