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

. 2021 Aug 16;11:16580. doi: 10.1038/s41598-021-96217-7

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

© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

PMC Copyright notice

Bilayer-crossing free energy profiles of SERCA2a activators. Profiles are represented by the potential of the mean force (PMF) of SERCA2a activators CDN1163, CP-153526, and Ro 41-0960 along the normal z-axis of a POPC membrane; the distance along the z-axis was used here as a reaction coordinate (ξ). The chemical structures in the upper right indicate the location of titratable groups and their corresponding pKa values (red circles); based on these pKa values, Bilayer-crossing free energy profiles were calculated for either neutral or ionized states of the small molecules. The gray area illustrates only one leaflet of the lipid bilayer.