Accurate particle-based simulation of adsorption, desorption and partial transmission.

ABSTRACT: Particle-based simulators represent molecules of interest with point-like particles that diffuse and react in continuous space. These simulators are often used to investigate spatial or stochastic aspects of biochemical systems. This paper presents new particle-based simulation algorithms for modeling interactions between molecules and surfaces; they address irreversible and reversible molecular adsorption to, desorption from and transmission through membranes. Their central elements are: (i) relationships between adsorption, desorption and transmission coefficients on the one hand, and simulator interaction probabilities on the other, and (ii) probability densities for initial placements of desorbed molecules. These algorithms, which were implemented and tested in the Smoldyn simulator, a

SUBMITTER: Andrews SS 

PROVIDER: S-EPMC2847898 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature