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Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions
Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2014
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4169379/ https://ncbi.nlm.nih.gov/pubmed/25240340 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4893963 |
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