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A general library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein models
We introduce “library based Monte Carlo” (LBMC) simulation, which performs Boltzmann sampling of molecular systems based on pre-calculated statistical libraries of molecular-fragment configurations, energies, and interactions. The library for each fragment can be Boltzmann distributed and thus accou...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2766542/ https://ncbi.nlm.nih.gov/pubmed/19594147 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp901322v |
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