Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Mar 9;126(11):2145–2154. doi: 10.1021/acs.jpcb.2c00292

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 2022 The Authors. Published by American Chemical Society

Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).

PMC Copyright notice

TG flip-flop in bilayers. A collective variable is the z distance between the center of mass of the phosphate atoms to the TG glycerol moiety. A depth of 0 represents the membrane center. (a) Illustration of the KV model (left). Attraction between the PL glycerol moiety (PGL) and the TG glycerol moiety (TGL) is controlled via the parameter C. The free energy profiles for TG flip-flop with various C parameters (right). TG does not nucleate with high C values, indicated with dashed lines. (b–d) TG flip-flop profiles with CG and AA force fields in DOPC bilayers (left column) or POPC bilayers (right column).