Computer simulation of ultrafast processes of energy migration between C-phycocyanin chromophores of the blue-green algae Agmenellum quadruplicatum

Our work is devoted to the investigation of some problems of energy migration among C- phycocyanin (C-PC) chromophores: (a) determination of energy migration rates between chromophores at various aggregation states of C-PC; (b) determination of the main routes of energy transfer in the rods consisting of 2 - 4 C-PC hexamers; (c) whether the position and orientation of C-PC chromophores are optimal for energy migration; and (d) disclosing of the probability function of statistic of exciton jumping times between chromophores. We developed two approaches, both being based on the statistical analysis of consecutive exciton interchromophore jumps (microscopic level) during its 'life'. The macroscopic parameters are obtained via statistical averaging. The first is the Monte-Carlo method and the second one implies direct calculation of energy migration rates. The latter method has yielded detailed information about the rates of energy migration among chromophores of C-phycocyanin at various aggregation states and conditions of chromophore orientations.