fmbpt submitted, created time 1 year 4 months (pubs.acs.org)

The structure of the DNA double helix's basic units, the Watson-Crick base pairs, is investigated using state-of-the-art computer simulations. We examine the Watson-Crick bond strength and geometry and, in particular, how it is affected: (i) by substituents at the nitrogens involved in glycosidic bonding; (ii) by geometrical strain stemming from the backbone; (iii) by solvent water molecules; and (iv) by sodium counter ions.

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