TY - JOUR A1 - Talukder, Srijeeta A1 - Sen, Shrabani A1 - Metzler, Ralf A1 - Banik, Suman K. A1 - Chaudhury, Pinaki T1 - Stochastic optimization-based study of dimerization kinetics JF - JOURNAL OF CHEMICAL SCIENCES N2 - We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end, we study dimerization kinetics of protein as a model system. We follow the dimerization kinetics using a stochastic simulation algorithm and combine it with three different optimization techniques (genetic algorithm, simulated annealing and parallel tempering) to obtain the rate constants involved in each reaction step. We find good convergence of the numerical scheme to the rate constants of the process. We also perform a sensitivity test on the reaction kinetic parameters to see the relative effects of the parameters for the associated profile of the monomer/dimer distribution. KW - Stochastic optimization KW - dimerization kinetics KW - sensitivity analysis KW - stochastic simulation algorithm KW - probability distribution function Y1 - 2013 SN - 0974-3626 SN - 0973-7103 VL - 125 IS - 6 SP - 1619 EP - 1627 PB - INDIAN ACAD SCIENCES CY - BANGALORE ER -