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Protein Structure Refinement through Structure Selection and Averaging from Molecular Dynamics Ensembles
A molecular dynamics (MD) simulation based protocol for structure refinement of template-based model predictions is described. The protocol involves the application of restraints, ensemble averaging of selected subsets, interpolation between initial and refined structures, and assessment of refineme...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3603382/ https://ncbi.nlm.nih.gov/pubmed/23526422 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300962x |
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