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Application of Non-Linear Dimensionality Reduction to Characterize the Conformational Landscape of Small Peptides

The automatic classification of the wealth of molecular configurations gathered in simulation in the form of a few coordinates that help explain the main states and transitions of the system is a recurring problem in computational molecular biophysics. We use the recently proposed ScIMAP algorithm t...

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Bibliografski detalji
Glavni autori: Stamati, Hernán, Clementi, Cecilia, Kavraki, Lydia E.
Format: Artigo
Jezik:Inglês
Izdano: 2010
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2795065/
https://ncbi.nlm.nih.gov/pubmed/19731366
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22526
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