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SMOG@ctbp: simplified deployment of structure-based models in GROMACS
Molecular dynamics simulations with coarse-grained and/or simplified Hamiltonians are an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Structure-based Hamiltonians, simplified models developed from the energy landscape theory o...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2896113/ https://ncbi.nlm.nih.gov/pubmed/20525782 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkq498 |
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