A BASIC PROGRAM FOR THE NUMERICAL-SOLUTION OF THE TRANSIENT KINETICS OF COMPLEX BIOCHEMICAL-MODELS

A highly optimized software for the kinetic analysis of complex chemical models is presented. The program is applied to the analysis of a vectorial biochemical reaction, where many species are linked by multiple equilibria of any order. The reaction simulates the Ca2+-transport-linked ATPase reaction taking place in a suspension of vesicular fragments of isolated sarcoplasmic reticulum membranes, as desribed in many experimental reports. The model includes 12 reactants and intermediate chemical species, 14 kinetic constants, compartmentalization, and thermodynamic adjustment. The concentrations of all the model components, at any time, starting from a known initial condition, are calculated. The transient concentrations of the species are obtained by numerical integration of the appropriate differential equations, using an optimized version of the Runge-Kutta-Gill algorithm, with the aid of a Digital PDP11/23 computer and a standard BASIC-11 software, which could be fast and easily fitted to work with any microcomputer and/or alternative language or faster working compiled BASIC version. The errors of the calculations are evaluated. © 1990.