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Evaluation of Unrestrained Replica-Exchange Simulations Using Dynamic Walkers in Temperature Space for Protein Structure Refinement

A central problem of computational structural biology is the refinement of modeled protein structures taken from either comparative modeling or knowledge-based methods. Simulations are commonly used to achieve higher resolution of the structures at the all-atom level, yet methodologies that consiste...

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Bibliographic Details
Main Authors: Olson, Mark A., Lee, Michael S.
Format: Artigo
Language:Inglês
Published: Public Library of Science 2014
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4029997/
https://ncbi.nlm.nih.gov/pubmed/24848767
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0096638
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