High-Resolution Visualisation of the States and Pathways Sampled in Molecular Dynamics Simulations

We have recently developed a scalable algorithm for ordering the instantaneous observations of a dynamical system evolving continuously in time. Here, we apply the method to long molecular dynamics trajectories. The procedure requires only a pairwise, geometrical distance as input. Suitable annotati...

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Detalles Bibliográficos
Autores principales: Blöchliger, Nicolas, Vitalis, Andreas, Caflisch, Amedeo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4151098/
https://www.ncbi.nlm.nih.gov/pubmed/25179558
http://dx.doi.org/10.1038/srep06264

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4151098/
https://www.ncbi.nlm.nih.gov/pubmed/25179558
http://dx.doi.org/10.1038/srep06264

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