A framework for discrete stochastic simulation on 3D moving boundary domains

We have developed a method for modeling spatial stochasticbiochemical reactions in complex, three-dimensional, and time-dependent domains using the reaction-diffusion master equation formalism. In particular, we look to address the fully coupled problems that arise in systems biology where the shape and mechanical properties of a cell are determined by the state of the biochemistry and vice versa. To validate our method and characterize the error involved, we compare our results for a carefully constructed test problem to those of a microscale implementation. We demonstrate the effectiveness of our method by simulating a model ofpolarization and shmoo formation during the mating of yeast. The method is generally applicable to problems in systems biology where biochemistry and mechanics are coupled, andspatial stochastic effects are critical.

Drawert, B., Hellander, S., Trogdon, M., Yi, T-M. and Petzold, L.
Journal of Chemical Physics
Volume: 145
Number: 18
Date: November, 2016
ICB Affiliated Authors: Linda R Petzold