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 Oct 14;17(11):7260–7270. doi: 10.1021/acs.jctc.1c00505

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

© 2021 The Authors. Published by American Chemical Society

Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

Activation free energy (ΔG, kcal/mol) profiles of the non-phos (a) and phos (b) systems as a function of the ŝ(R) and z(R) CVs obtained from wT-metaD simulations. MFEP for activation is shown in yellow color.