Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer-Reference-Cited by-同舟云学术

Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer

Published:2022 Issue:41 Volume:24 Page:25588-25601
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fridolf Simon¹^ORCID,Hamid Mona Koder²,Svenningsson Leo¹,Skepö Marie²^ORCID,Sparr Emma¹^ORCID,Topgaard Daniel¹

Affiliation:

1. Division of Physical Chemistry, Lund University, Lund, Sweden

2. Division of Theoretical Chemistry, Lund University, Lund, Sweden

Abstract

Motion blur image from MD simulation of a POPC-GM3 bilayer. The GM3 headgroup is characterized by high order and slow dynamics as quantified by C–H order parameters and effective correlation times derived from MD simulation and NMR spectroscopy.

Funder

Knut och Alice Wallenbergs Stiftelse

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02860C

Reference72 articles.

1. O. G.Mouritsen and L. A.Bagatolli , Life-as a matter of fat: lipids in a membrane biophysics perspective , Springer , 2015

2. Theory of self-assembly of hydrocarbon amphiphiles into micelles and bilayers

3. How lipids affect the activities of integral membrane proteins