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CATBOSS: Cluster Analysis of Trajectories Based on Segment Splitting

[Image: see text] Molecular dynamics (MD) simulations are an exceedingly and increasingly potent tool for molecular behavior prediction and analysis. However, the enormous wealth of data generated by these simulations can be difficult to process and render in a human-readable fashion. Cluster analys...

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Detalles Bibliográficos
Autores principales: Damjanovic, Jovan, Murphy, James M., Lin, Yu-Shan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8549068/
https://www.ncbi.nlm.nih.gov/pubmed/34608796
http://dx.doi.org/10.1021/acs.jcim.1c00598