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High-Resolution Visualisation of the States and Pathways Sampled in Molecular Dynamics Simulations
We have recently developed a scalable algorithm for ordering the instantaneous observations of a dynamical system evolving continuously in time. Here, we apply the method to long molecular dynamics trajectories. The procedure requires only a pairwise, geometrical distance as input. Suitable annotati...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group
2014
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4151098/ https://ncbi.nlm.nih.gov/pubmed/25179558 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep06264 |
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