Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments.

The knowledge of multiple conformational states is a prerequisite to understand the function of membrane transport proteins. Unfortunately, the determination of detailed atomic structures for all these functionally important conformational states with conventional high-resolution approaches is often...

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Bibliographic Details

Published in:	PLoS Computational Biology
Main Authors:	Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M Islam, Klaus Schulten, Benoît Roux
Format:	Article
Language:	English
Published:	Public Library of Science (PLoS) 2015-10-01
Online Access:	http://europepmc.org/articles/PMC4624691?pdf=render