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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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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | 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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