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...
| Veröffentlicht in: | Proceedings of the National Academy of Sciences of the United States of America. - National Academy of Sciences of the United States of America. - 108(2011), 32, Seite 13023-13028 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2011
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| Zugriff auf das übergeordnete Werk: | Proceedings of the National Academy of Sciences of the United States of America |
| Schlagworte: | Physical sciences Applied sciences Mathematics Political science Biological sciences |
| Online verfügbar |
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