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

. 2018 Nov 22;12:3985–3997. doi: 10.2147/DDDT.S184245

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

© 2018 Han et al. This work is published and licensed by Dove Medical Press Limited

The full terms of this license are available at https://www.dovepress.com/terms.php and incorporate the Creative Commons Attribution – Non Commercial (unported, v3.0) License (http://creativecommons.org/licenses/by-nc/3.0/). By accessing the work you hereby accept the Terms. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed.

PMC Copyright notice

Structural and energetic analysis of SchB to the binding site of Keap1 by MD simulation.

Notes: (A) RMSD curves for the 200 ns MD simulation. (B) Dynamic cross-correlations of residue fluctuations from MD simulations. (C) Per residue contribution of binding energy of the Keap1–SchB complex. To get a clear view, only residues in the top ten contributed are shown. (D) Structural analysis of the ten most contributed residues of Keap1 to SchB.

Abbreviations: MD, molecular dynamics; RMSD, root-mean SD; SchB, schisandrin B.