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28 p, 1.7 MB Molecular dynamics study of naturally existing cavity couplings in proteins / Barbany, Montserrat (Institut de Recerca Biomèdica) ; Meyer, Tim (Max-Planck-Institut für biophysikalische Chemie) ; Hospital,Adam (Institut de Recerca Biomèdica) ; Faustino, Ignacio (Institut de Recerca Biomèdica) ; D'Abramo, Marco (Università degli Studi di Roma "La Sapienza". Dipartimento di Chimica) ; Morata, Jordi (Centre de Recerca en Agrigenòmica) ; Orozco, Modesto (Institut de Recerca Biomèdica) ; de la Cruz, Xavier (Institució Catalana de Recerca i Estudis Avançats)
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. [...]
2015 - 10.1371/journal.pone.0119978
Plos One, Vol. 10, issue 3 (March 2015) , e0119978  

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