Computer simulations of protein-membrane systems.
All-atom force fields
Coarse-grained force fields
Lipids
Membrane
Molecular dynamics simulations
Protein–lipid interactions
Journal
Progress in molecular biology and translational science
ISSN: 1878-0814
Titre abrégé: Prog Mol Biol Transl Sci
Pays: Netherlands
ID NLM: 101498165
Informations de publication
Date de publication:
2020
2020
Historique:
entrez:
9
3
2020
pubmed:
9
3
2020
medline:
28
1
2021
Statut:
ppublish
Résumé
The interactions between proteins and membranes play critical roles in signal transduction, cell motility, and transport, and they are involved in many types of diseases. Molecular dynamics (MD) simulations have greatly contributed to our understanding of protein-membrane interactions, promoted by a dramatic development of MD-related software, increasingly accurate force fields, and available computer power. In this chapter, we present available methods for studying protein-membrane systems with MD simulations, including an overview about the various all-atom and coarse-grained force fields for lipids, and useful software for membrane simulation setup and analysis. A large set of case studies is discussed.
Identifiants
pubmed: 32145948
pii: S1877-1173(20)30012-0
doi: 10.1016/bs.pmbts.2020.01.001
pmc: PMC7109768
pii:
doi:
Substances chimiques
Membrane Lipids
0
Membrane Proteins
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
273-403Informations de copyright
© 2020 Elsevier Inc. All rights reserved.
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