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Algorithmic dimensionality reduction for molecular structure analysis

Dimensionality reduction approaches have been used to exploit the redundancy in a Cartesian coordinate representation of molecular motion by producing low-dimensional representations of molecular motion. This has been used to help visualize complex energy landscapes, to extend the time scales of sim...

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Detalhes bibliográficos
Main Authors: Brown, W. Michael, Martin, Shawn, Pollock, Sara N., Coutsias, Evangelos A., Watson, Jean-Paul
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2809693/
https://ncbi.nlm.nih.gov/pubmed/18715062
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2968610
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