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Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations
[Image: see text] Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. B...
Enregistré dans:
| Publié dans: | J Chem Theory Comput |
|---|---|
| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
American
Chemical Society
2014
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| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4263461/ https://ncbi.nlm.nih.gov/pubmed/25516725 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500353m |
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