The state of the art may have changed since the publication date. J Biomol Struct Dyn. The non-isomorphism of the triplets in the GpT steps in the first sequence, gives rise to non canonical conformations in the torsion angles, hydration appears to be crucial for this triplex.
Sugar puckers are predominantly South during in vacuo simulations while they turn East in aqua.
In the simulation in aqua the triplexes are shrouded by an hydration shell, however, we have not been able to detect any permanent hydrogen bond bridge between DNA and water. The solvation of ions as well as their radial distribution, appear to be relatively well behaved despite the artifacts known to be generated by the simulation procedure. The experimental feasibility of these structures is discussed. Always watch for outdated information. This article first appeared in 1996.