Bias-Exchange Metadynamics Simulation of Membrane Permeation of 20 Amino Acids

Thermodynamics of the permeation of amino acids from water to lipid bilayers is an important first step for understanding the mechanism of cell-permeating peptides and the thermodynamics of membrane protein structure and stability. In this work, we employed bias-exchange metadynamics simulations to...

Descripción completa

Detalles Bibliográficos
Autores principales: Cao, Zanxia, Bian, Yunqiang, Hu, Guodong, Zhao, Liling, Kong, Zhenzhen, Yang, Yuedong, Wang, Jihua, Zhou, Yaoqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5877746/
https://www.ncbi.nlm.nih.gov/pubmed/29547563
http://dx.doi.org/10.3390/ijms19030885

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5877746/
https://www.ncbi.nlm.nih.gov/pubmed/29547563
http://dx.doi.org/10.3390/ijms19030885

Ejemplares similares