A Monte Carlo simulation of the depolymerization of linear homopolymers byendo-enzymes exhibiting random-attack probability and single-attack mechanism: Application to the (1→3),(1→4)-β-D-glucan/endo-(1→3),(1→4)-β-D-glucanase system

A Monte Carlo simulation of the depolymerization of linear homopolymers by specific endo-enzymes exhibiting random-attack probability and a single-attack mechanism has been developed. The program simulates the "real" depolymerization versus time of a polydisperse sample of substrate by a specific endo-enzyme. Given the initial mass distribution and concentration of the substrate, the initial concentration of the enzyme, and its Michaelis-Menten constant, the program simulates the evolution of the mass distribution of the substrate with the depolymerization time. When tested against experimental data from the depolymerization of barley (1-->3),(1-->4)-beta-D-glucan by malt endo-(1-->3), (1-->4)-beta-D-glucanase, monitored using the Calcofluor-FIA method with fluorescent detection, excellent results were obtained.