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Representative PMF profiles (solid red line) extracted from the umbrella sampling simulations and fitted with a modified DLVO type of equation (equation 4, dotted green line) for the TGTG-X-GTGT peptides, where (a) X=Val, (b) X=Thr, and (c) X=Asp over the CH3-SAM surface and (d) X=Val, (e) X=Thr and (f) X=Asp over the OH-SAM surface.
