Analyzing the origins of receptor-ligand adhesion forces measured by the scanning force microscope

Enthalpic approaches have been shown to be of value in the simulation of sc anning force microscope (SFM) force-distance experiments. We show that for streptavidin, adiabatic mapping with lenient minimization convergence crite ria can produce useful data for the comparative analysis of different ligan ds. The lenient mapping protocol profiles the undocking pathway in a fracti on of the time required for other methods presented in the literature. Unbi nding pathways and hydrogen bonding patterns for three ligands are predicte d in a total of 74 computer-hours using a single processor of a Hewlett-Pac kard J-210. Hence this method allows the analysis of SFM ligand rupture pat hways with a low computational overhead and also importantly suggests furth er avenues of biophysical experimental investigation and data interpretatio n.