1 On the Simulation of Enzymatic Digest Patterns Jonathan
نویسندگان
چکیده
A simulation methodology for predicting the time-course of enzymatic digestions is described. The model is based solely on the enzyme’s sub-site architecture and concomitant binding energies. This allows sub-site 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-polygalacturonse II (endo-PG II) from Aspergillus niger.
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