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High propeller twist and unusual hydrogen bonding patterns from the MD simulation of (dG) 6 · (dC) 6
Author(s) -
Zielinski Theresa Julia,
Shibata Masayuki,
Rein Robert
Publication year - 1988
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/0014-5793(88)80075-9
Subject(s) - propeller , twist , hydrogen bond , chemistry , crystallography , physics , materials science , engineering , mathematics , molecule , geometry , marine engineering , quantum mechanics
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° to 38°. Bifurcated and interstrand neighboring base (twisted) hydrogen bonding patterns were found.