Interaction between β-lactoglobulin and EGCG under high-pressure by molecular dynamics simulation

The binding between β-lactoglobulin and epigallocatechin gallate (EGCG) under the pressure of 600 MPa was explored using molecular docking and molecular dynamics (MD) simulation. EGCG bound mainly in two regions with site 1 in internal cavity of the β-barrel and site 2 on the surface of protein. 150...

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Detalles Bibliográficos
Autores principales: Huang, Yechuan, Zhang, Xicai, Suo, Huayi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8691620/
https://www.ncbi.nlm.nih.gov/pubmed/34932559
http://dx.doi.org/10.1371/journal.pone.0255866

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8691620/
https://www.ncbi.nlm.nih.gov/pubmed/34932559
http://dx.doi.org/10.1371/journal.pone.0255866

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