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Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways
Free energy path sampling plays an essential role in computational understanding of chemical reactions, particularly those occurring in enzymatic environments. Among a variety of molecular dynamics simulation approaches, the generalized ensemble sampling strategy is uniquely attractive for the fact...
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| Publicado no: | Methods Enzymol |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4978182/ https://ncbi.nlm.nih.gov/pubmed/27498634 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/bs.mie.2016.05.012 |
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