Optimal identification of semi-rigid domains in macromolecules from molecular dynamics simulation.

Biological function relies on the fact that biomolecules can switch between different conformations and aggregation states. Such transitions involve a rearrangement of parts of the biomolecules involved that act as dynamic domains. The reliable identification of such domains is thus a key problem in...

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Bibliographic Details
Main Authors: Stefan Bernhard, Frank Noé
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2010-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC2869351?pdf=render