Please use this identifier to cite or link to this item:
Title: Residues coevolution guides the systematic identification of alternative functional conformations in proteins
Author: Sfriso, Pedro
Duran Frigola, Miquel
Mosca, Roberto
Emperador, Agustí
Aloy, Patrick, 1972-
Orozco López, Modesto
Keywords: Proteïnes
Biologia molecular
Molecular biology
Issue Date: 10-Dec-2015
Publisher: Elsevier B.V.
Abstract: We present here a new approach for the systematic identification of functionally relevant conformations in proteins. Our fully automated pipeline, based on discrete molecular dynamics enriched with coevolutionary information, is able to capture alternative conformational states in 76% of the proteins studied, providing key atomic details for understanding their function and mechanism of action. We also demonstrate that, given its sampling speed, our method is well suited to explore structural transitions in a high-throughput manner, and can be used to determine functional conformational transitions at the entire proteome level.
Note: Versió postprint del document publicat a:
It is part of: Structure, 2016, vol. 24, num. 1, p. 116-126
Related resource:
ISSN: 0969-2126
Appears in Collections:Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))

Files in This Item:
File Description SizeFormat 
660509.pdf13.29 MBAdobe PDFView/Open

This item is licensed under a Creative Commons License Creative Commons