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Simplifying the representation of complex free-energy landscapes using sketch-map
A new scheme, sketch-map, for obtaining a low-dimensional representation of the region of phase space explored during an enhanced dynamics simulation is proposed. We show evidence, from an examination of the distribution of pairwise distances between frames, that some features of the free-energy sur...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3156203/ https://ncbi.nlm.nih.gov/pubmed/21730167 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1108486108 |
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