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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...

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Detalhes bibliográficos
Publicado no:Int J Mol Sci
Main Authors: Cao, Zanxia, Bian, Yunqiang, Hu, Guodong, Zhao, Liling, Kong, Zhenzhen, Yang, Yuedong, Wang, Jihua, Zhou, Yaoqi
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5877746/
https://ncbi.nlm.nih.gov/pubmed/29547563
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms19030885
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