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

. 2014 Nov 20;10(11):e1003987. doi: 10.1371/journal.pcbi.1003987

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

© 2014 Äijänen et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

PMC Copyright notice

Free energy profiles of the umbrella sampling simulations. Both A) anacetrapib and B) cholesteryl ester were pulled out from the structure of CETP through the N-terminal tunnel opening to the water phase. CETP residues Cysh9, Arg10, Ile11, and Thr12 were used as the reference pull group due to their parallel alignment with the N-terminal tunnel opening.