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Evaluation of Dimensionality-reduction Methods from Peptide Folding-unfolding Simulations
Dimensionality reduction methods have been widely used to study the free energy landscapes and low-free energy pathways of molecular systems. It was shown that the non-linear dimensionality-reduction methods gave better embedding results than the linear methods, such as principal component analysis,...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3678838/ https://ncbi.nlm.nih.gov/pubmed/23772182 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400052y |
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