Generalized Chemokinetic Method for Gene Network Simulation.

Development of methods for mathematical simulation of biological systems and building specific simulations is an important trend of bioinformatics. Here we describe the method of generalized chemokinetic simulation generating flexible and adequate simulations of various biological systems. Adequate simulations of complex nonlinear gene networks—control system of cholesterol by synthesis in the cell and erythrocyte differentiation and maturation—are given as examples. The simulations were expressed in terms of unit processes—biochemical reactions. Optimal sets of parameters were determined and the systems were numerically simulated under various conditions. The simulations allow us to study the possible functional conditions of these gene networks, calculate the consequences of mutations, and define optimal strategies for their correction including therapeutic ones. A graphical user interface for these simulations is available at http://wwwmgs.bionet.nsc.ru/systems/MGL/GeneNet/ [ABSTRACT FROM AUTHOR]