%0 Journal Article
%A Maggi, Luca
%A Carloni, P.
%A Rossetti, G.
%T Vibrational Energy in Proteins Correlates with Topology
%J The journal of physical chemistry letters
%V 9
%N 22
%@ 1948-7185
%C Washington, DC
%I ACS
%M FZJ-2018-06520
%P 6393 - 6398
%D 2018
%X The exchange of vibrational energy in proteins is crucial for their function. Here, we establish a connection between quantities related to it with geometry-based properties such as the proteins’ residues coordination number. This relation is proven by molecular simulation in a neuro-pharmacologically relevant transmembrane receptor. The connection demonstrated here paves the way to studies of protein allostery and conformational changes based solely on protein structure
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:30358398
%U <Go to ISI:>//WOS:000451362100002
%R 10.1021/acs.jpclett.8b02380
%U https://juser.fz-juelich.de/record/857529