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The effect of the neglect of electronic polarization in peptide folding simulations
- Source :
- Journal of Physical Chemistry B. Dec 12, 2002, Vol. 106 Issue 49, p12830, 4 p.
- Publication Year :
- 2002
-
Abstract
- The effect of the neglect of electronic polarization, on the relative stability of different conformations of a model peptide in a nonpolar environment, is investigated. The result reveals that the stability of confirmations which have an enhanced electric field, such as is generated by the formation of a helix dipole could significantly underestimated by the neglect of the effects of electronic polarization in weakly or nonpolar solvents.
Details
- Language :
- English
- ISSN :
- 15206106
- Volume :
- 106
- Issue :
- 49
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry B
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.123586930