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Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics
Parallel tempering (PT) molecular dynamics simulations have been extensively investigated as a means of efficient sampling of the configurations of biomolecular systems. Recent work has demonstrated how the short physical trajectories generated in PT simulations of biomolecules can be used to constr...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3139503/ https://ncbi.nlm.nih.gov/pubmed/21721613 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3592153 |
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