Journal
CHEMICAL PHYSICS LETTERS
Volume 420, Issue 1-3, Pages 235-240Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2005.12.061
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In this study, molecular dynamics simulations were conducted to investigate the effects of various alcohols on the structural integrity of three peptides: melittin with 2 alpha-helices, TH-10Aox with 3 beta-strands, and Tcl with 1 alpha-helix and 2 beta-strands. The results reveal that the secondary structural integrity of these peptides increased with decreasing dielectric constant of the solvent, indicating that there is a positive correlation between the number of carbon atoms in alcohols and the stability of the secondary structures. In addition, TFE enhanced 14 the secondary structural stability of these peptides to a greater extent than the other alcohols. (c) 2005 Elsevier B.V. All rights reserved.
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