Article
Molecular dynamics study of naturally existing cavity couplings in proteins.
PloS one - 1 Jan 2015
Barbany Montserrat, Meyer Tim, Hospital Adam, Faustino Ignacio, D'Abramo Marco, Morata Jordi, Orozco Modesto, de la Cruz Xavier
Abstract excerpt
Couplings between protein sub-structures are a common property of protein dynamics. Some of these couplings are especially interesting since they relate to function and its regulation. In this article we have studied the case of cavity couplings because cavities can host functional sites, allosteric sites, and are the locus of interactions with the cell milieu. We have divided this problem into two parts. In the...
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