  A simulation methodology for predicting the time-course of enzymatic
digestions is described. The model is based solely on the enzyme's subsite
architecture and concomitant binding energies. This allows subsite binding
energies to be used to predict the evolution of the relative amounts of
different products during the digestion of arbitrary mixtures of oligomeric or
polymeric substrates. The methodology has been specifically demonstrated by
studying the fragmentation of a population of oligogalacturonides of varying
degrees of polymerization, when digested by endo-polygalacturonase II (endo-PG
II) from Aspergillus niger.
