fmbpt submitted, created time 1 year 4 months (www3.interscience.wiley.com)

Based on state-of-the-art computer simulations, we show that it is possible to build a supramolecular nanoswitch, based on the DNA base pair GC, that can be chemically switched between three states that differ in hydrogen-bond strength (weak, intermediate, strong) and geometrical shape (e.g. , GC bending in-plane “up”, “not”, and “down”). The chemical switching involves deprotonation or protonation of hydroxy and amino substituents at guanine C8 and cytosine C6. This behavior has been shown to persist under microsolvation conditions.

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