Some applications of the empirical force field method to stereochemistry
β Scribed by Kurt Mislow; Dennis A. Dougherty; W. Douglas Hounshell
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 760 KB
- Volume
- 87
- Category
- Article
- ISSN
- 0037-9646
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π SIMILAR VOLUMES
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Molecular dynamics simulations have been carried out on the cyclopentane molecule using a diagonal force field and the results compared with both experiment and a recent study which used the MM3 force field [W. Cui, F. Li, and N. L. Allinger, I. Am. Chem. Sac., 115,2943 (199311. The current simulati
Molecular dynamics simulations based on empirical force fields can greatly enhance knowledge of DNA and RNA structure and dynamics in solution. Presented are results on simulations of three DNA sequences and one RNA sequence using the new all-atom CHARMM27 force field for nucleic acids presented in