CACPPAF, a COMSOL application to characterize polyelectrolyte properties of actin filaments.

Abstract

We present an interactive COMSOL web application that allows both expert and non-expert users to numerically evaluate the electric potential, ionic concentration distribution, velocity profile, and ionic current along a molecular structure surface characterizing actin filaments. This online computational and visualization tool runs on a high performance server (http://marucholab.physics.utsa.edu:2036), that enables users to perform multiple analyses and comparisons without compromising computational resources. As a unique feature, the multiphysics formulation accounts for the filament surface roughness, the finite filament size, and the ionic condensation, providing a deeper understanding of the electrochemical phenomena taking place at the interface between the irregular charged shape of the filament and its biological environment. Overall, the interactive component allows investigators to characterize polyelectrolyte properties of healthy and abnormal actin filaments in physiological and pathological conditions.