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Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps

BACKGROUND: Molecular dynamics (MD) simulations are powerful tools to investigate the conformational dynamics of proteins that is often a critical element of their function. Identification of functionally relevant conformations is generally done clustering the large ensemble of structures that are g...

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Detalles Bibliográficos
Autores principales: Fraccalvieri, Domenico, Pandini, Alessandro, Stella, Fabio, Bonati, Laura
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3118354/
https://www.ncbi.nlm.nih.gov/pubmed/21569575
http://dx.doi.org/10.1186/1471-2105-12-158