Folding pathways of a knotted protein with a realistic atomistic force field.

We report on atomistic simulation of the folding of a natively-knotted protein, MJ0366, based on a realistic force field. To the best of our knowledge this is the first reported effort where a realistic force field is used to investigate the folding pathways of a protein with complex native topology...

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Bibliographic Details
Main Authors: Silvio a Beccara, Tatjana Škrbić, Roberto Covino, Cristian Micheletti, Pietro Faccioli
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2013-01-01
Series:PLoS Computational Biology
Online Access:http://europepmc.org/articles/PMC3605060?pdf=render