Issue 21, 2015
From the journal:

Chemical Communications

All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields†

Åge A. Skjevik,ab   Benjamin D. Madej,ac   Callum J. Dickson,d   Knut Teigen,b   Ross C. Walker*ac  and  Ian R. Gould*d  

* Corresponding authors

a San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California, USA
E-mail: ross@rosswalker.co.uk

b Department of Biomedicine, University of Bergen, N-5009 Bergen, Norway

c Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive MC0505, La Jolla, California, USA

d Department of Chemistry and Institute of Chemical Biology, Imperial College London, South Kensington, UK
E-mail: i.gould@imperial.ac.uk

Abstract

This communication reports the first example of spontaneous lipid bilayer formation in unbiased all-atom molecular dynamics (MD) simulations. Using two different lipid force fields we show simulations started from random mixtures of lipids and water in which four different types of phospholipids self-assemble into organized bilayers in under 1 microsecond.

Graphical abstract: All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

About
Cited by
Related
Download options Please wait...

Supplementary files

Article information

DOI
https://doi.org/10.1039/C4CC09584G
Article type
Communication
Submitted
08 Dec 2014
Accepted
04 Feb 2015
First published
04 Feb 2015

Chem. Commun., 2015,51, 4402-4405

Author version available

Download author version (PDF)

Permissions

Request permissions

All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields

Å. A. Skjevik, B. D. Madej, C. J. Dickson, K. Teigen, R. C. Walker and I. R. Gould, Chem. Commun., 2015, 51, 4402 DOI: 10.1039/C4CC09584G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements