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CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes
Force field parameters specifically optimized for residues important in the study of RNA catalysis are derived from density-functional calculations in a fashion consistent with the CHARMM27 all-atom empirical force field. Parameters are presented for residues that model reactive RNA intermediates an...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2869295/ https://ncbi.nlm.nih.gov/pubmed/17186477 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.20474 |
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