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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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| Vydáno v: | PLoS One |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Public Library of Science
2015
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4418572/ https://ncbi.nlm.nih.gov/pubmed/25938485 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0125848 |
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