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VAMPnets for deep learning of molecular kinetics
There is an increasing demand for computing the relevant structures, equilibria, and long-timescale kinetics of biomolecular processes, such as protein-drug binding, from high-throughput molecular dynamics simulations. Current methods employ transformation of simulated coordinates into structural fe...
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| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5750224/ https://ncbi.nlm.nih.gov/pubmed/29295994 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-017-02388-1 |
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