Stochastic optimization-based study of dimerization kinetics
Srijeeta Talukder Shrabani Sen Ralf Metzler Suman K Banik Pinaki Chaudhury
Click here to view fulltext PDF
Permanent link:
https://www.ias.ac.in/article/fulltext/jcsc/125/06/1619-1627
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.
Srijeeta Talukder1 Shrabani Sen1 Ralf Metzler2 3 Suman K Banik4 Pinaki Chaudhury1
Volume 135, 2023
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2022-2023 Indian Academy of Sciences, Bengaluru.