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Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibrium
The B-form of DNA can populate two different backbone conformations: BI and BII, defined by the difference between the torsion angles ε and ζ (BI = ε-ζ < 0 and BII = ε-ζ > 0). BI is the most populated state, but the population of the BII state, which is sequence dependent, is significant and a...
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| Autors principals: | , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2012
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3285246/ https://ncbi.nlm.nih.gov/pubmed/22368531 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200723y |
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