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Refining Homology Models by Combining Replica-Exchange Molecular Dynamics and Statistical Potentials

A protocol is presented for the global refinement of homology models of proteins. It combines the advantages of temperature-based replica-exchange molecular dynamics (REMD) for conformational sampling and the use of statistical potentials for model selection. The protocol was tested using 21 models....

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Bibliografiska uppgifter
Huvudupphovsmän: Zhu, Jiang, Fan, Hao, Periole, Xavier, Honig, Barry, Mark, Alan E.
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2008
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC2761145/
https://ncbi.nlm.nih.gov/pubmed/18338384
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22005
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