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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2015
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| Materias: | |
| 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 |