Membranes Interactions Mediated by Stickers: a Simulaion study

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Addis Ababa University


In this work, we investigate Moleculare dynamics simulation of Adhesion bond between receptors and ligands. We modeled the ligand-receptor pairs(Adhesion bond) as Brownian particle in viscous medium. Using the Langevin equation and employing the fourth order Runge kutta method the position of the ligand-receptor pair is determined. Based on the position's of ligand-receptor pairs the energy landscape of adhesion bond is obtained. The coupled processes (formation and breaking) of adhesion bonds are simulated by the Gillespie algorithms. These ligand-receptor interactions are modeled in the coupled chemical reactions model where breaking and rebinding of the adhesion bonds are stochastic. The Adhesion bond life time as the stochastic process that is rely on probability for bond breaking and rebinding of di erent realizations of the SSA are used. The stochastic relation between Nt, and f with Nb Nt was examine



Moleculare dynamics simulation