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. Author manuscript; available in PMC: 2008 Oct 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2007 Jul 17;18(10):1760–1773. doi: 10.1016/j.jasms.2007.07.008

Table 5.

The relative free energies between the last minimized and MD structures. For each quadruplex, only the energetically more favorable stoichiometry or strand orientation is considered.

Quadruplex Relative Free Energy (kcal/mol)
G1-ammonium 95.3
G3-antiparallel 93.0
G4-antiparallel 137.7
G5-antiparallel 119.6
G6-parallel 123.3
G7-antiparallel 165.9