Deformation of thiolated nucleic acid deposited on a silicon surface: A Static Mode approach

We present a framework in which biomolecular conformational flexibility can be envisaged in a systematic way through a “Static Mode” approach. Preliminary results concern the constraints that could impact a DNA grafted to a silicon substrate through a thiol termination. We show that the DNA backbone (particularly the sugar) exhibits the majority of the induced deformation, leaving the base stacking unchanged. The alkyl chain separating the thiol termination from the DNA strand appears rigid and do not participate to the overall molecular flexibility.