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Modeling Molecular Kinetics with tICA and the Kernel Trick
[Image: see text] The allure of a molecular dynamics simulation is that, given a sufficiently accurate force field, it can provide an atomic-level view of many interesting phenomena in biology. However, the result of a simulation is a large, high-dimensional time series that is difficult to interpre...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4610300/ https://www.ncbi.nlm.nih.gov/pubmed/26528090 http://dx.doi.org/10.1021/ct5007357 |