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The effect of the neglect of electronic polarization in peptide folding simulations

Authors :
Soto, Patricia
Mark, Alan E.
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