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Protein Structure Refinement via Molecular-Dynamics Simulations: What works and what does not?

Protein structure refinement during CASP11 by the Feig group is described. Molecular dynamics simulations were used in combination with an improved selection and averaging protocol. On average, modest refinement was achieved with some targets improved significantly. Analysis of the CASP submission f...

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Detalhes bibliográficos
Publicado no:Proteins
Main Authors: Feig, Michael, Mirjalili, Vahid
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5493977/
https://ncbi.nlm.nih.gov/pubmed/26234208
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.24871
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