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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2011
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| 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 |