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Persistent Topology and Metastable State in Conformational Dynamics

The large amount of molecular dynamics simulation data produced by modern computational models brings big opportunities and challenges to researchers. Clustering algorithms play an important role in understanding biomolecular kinetics from the simulation data, especially under the Markov state model...

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Detalles Bibliográficos
Autores principales: Chang, Huang-Wei, Bacallado, Sergio, Pande, Vijay S., Carlsson, Gunnar E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3614941/
https://www.ncbi.nlm.nih.gov/pubmed/23565139
http://dx.doi.org/10.1371/journal.pone.0058699