Validating clustering of molecular dynamics simulations using polymer models

BACKGROUND: Molecular dynamics (MD) simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation da...

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Detalles Bibliográficos
Autores principales: Phillips, Joshua L, Colvin, Michael E, Newsam, Shawn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Methodology Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3284309/
https://www.ncbi.nlm.nih.gov/pubmed/22082218
http://dx.doi.org/10.1186/1471-2105-12-445

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3284309/
https://www.ncbi.nlm.nih.gov/pubmed/22082218
http://dx.doi.org/10.1186/1471-2105-12-445

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