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High propeller twist and unusual hydrogen bonding patterns from the MD simulation of (dG)6.(dC)6
T J Zielinski1, M Shibata, R Rein
1Department of Chemistry, Niagara University, NY 14109.
FEBS Letters
|August 29, 1988
Abstract:
A molecular dynamics (MD) study of (dG)6.(dC)6 including counter ions and 292 water molecules was made. The hydrogen bonding pattern and propeller twist angles for the mini-helix are reported as averages for times spanning 21-30, 31-40, 41-50, and 51-60 ps. The propeller twist angles range from 18 degrees to 38 degrees. Bifurcated and interstrand neighboring base (twisted) hydrogen bonding patterns were found.