Open AccessCover Feature: Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics (Chemistry ‐ Methods 8/2021) **
Author(s) -
Yang Zhongyue,
Hajlasz Natalia,
Steeves Adam H.,
Kulik Heather J.
Publication year - 2021
Publication title -
chemistry ‐ methods
Language(s) - English
Resource type - Journals
ISSN - 2628-9725
DOI - 10.1002/cmtd.202100067
Subject(s) - cover (algebra) , feature (linguistics) , coupling (piping) , chemical physics , ab initio , range (aeronautics) , charge (physics) , chemistry , electronic structure , computational chemistry , statistical physics , physics , materials science , quantum mechanics , engineering , organic chemistry , mechanical engineering , philosophy , linguistics , metallurgy , composite material
The Cover Feature shows a mutual information analysis of charge distributions in proteins. The presented study reveals that electronic couplings are long range in nature even between neutral amino acids. More information can be found in the Full Paper by Zhongyue Yang et al.