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A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field

The Amber Lipid14 force field is expanded to include cholesterol parameters for all-atom cholesterol and lipid bilayer molecular dynamics simulations. The General Amber and Lipid14 force fields are used as a basis for assigning atom types and basic parameters. A new RESP charge derivation for choles...

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Bibliografiske detaljer
Udgivet i:J Phys Chem B
Main Authors: Madej, Benjamin D., Gould, Ian R., Walker, Ross C.
Format: Artigo
Sprog:Inglês
Udgivet: 2015
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5079186/
https://ncbi.nlm.nih.gov/pubmed/26359797
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b04924
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