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OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics
[Image: see text] Transition path sampling techniques allow molecular dynamics simulations of complex systems to focus on rare dynamical events, providing insight into mechanisms and the ability to calculate rates inaccessible by ordinary dynamics simulations. While path sampling algorithms are conc...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6374749/ https://www.ncbi.nlm.nih.gov/pubmed/30336030 http://dx.doi.org/10.1021/acs.jctc.8b00626 |