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Learning generative models of molecular dynamics
We introduce three algorithms for learning generative models of molecular structures from molecular dynamics simulations. The first algorithm learns a Bayesian-optimal undirected probabilistic model over user-specified covariates (e.g., fluctuations, distances, angles, etc). L(1 )reg-ularization is...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394414/ https://www.ncbi.nlm.nih.gov/pubmed/22369071 http://dx.doi.org/10.1186/1471-2164-13-S1-S5 |