Application of the SITM to a Model of Molecular Docking
Wei Li · Acta Scientiarum Naturalium Universitatis Neimongol · 2000
A 3 dimensional model of molecular docking is proposed. We minimize inter molecule interaction potential functions by applying the smoothing integral transformation method (SITM) in order to find the optimal configuration(i.e., the absolute potential energy minimizer) of the docking molecules. The results show that the SITM is a pretty efficient method for the problem of molecular docking. In addition, the problems on the choice of the fitting parameters of the potential function and the minimum tracing method are discussed.