A hybrid computational model for phagocyte transmigration.

Phagocyte transmigration is the initiation of a series of phagocyte responses that are believed important in the formation of fibrotic capsules surrounding implanted medical devices. Understanding the molecular mechanisms governing phagocyte transmigration is highly desired in order to improve the stability and functionality of the implanted devices. A hybrid computational model that combines control theory and kinetics Monte Carlo (KMC) algorithm is proposed to simulate and predict phagocytes responses at molecular level. In order to mimic various biological knockout experiments, a general external control scenario is designed. The stochastic nature inherent to phagocyte transmigration is captured by KMC. A new formula is derived to calculate the transition rates as inputs to KMC. This formulation might quantify biological interactions in a general manner which is beyond the scope of the traditional chemical reaction kinetics.