Refining amino acid hydrophobicity for dynamics simulation of membrane proteins

Coarse-grained (CG) models have been successful in simulating the chemical properties of lipid bilayers, but accurate treatment of membrane proteins and lipid-protein molecular interactions remains a challenge. The CgProt force field, original developed with the multiscale coarse graining method, is...

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Bibliographic Details
Main Author: Ronald D. Hills, Jr
Format: Article
Language:English
Published: PeerJ Inc. 2018-01-01
Series:PeerJ
Subjects:
Online Access:https://peerj.com/articles/4230.pdf