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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4151098/ https://www.ncbi.nlm.nih.gov/pubmed/25179558 http://dx.doi.org/10.1038/srep06264 |