Brownian dynamics model of deformable particle adsorption

Author: Buján-Núñez Maria   Dickinson Eric  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.80, Iss.2, 1993-10, pp. : 431-440

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Abstract

We present a new multi-subunit continuum model suitable for Brownian dynamics simulation of deformable particle adsorption at a plane surface. Depending on the value of the attractive energy parameter E in the subunit-subunit interaction potential, the average simulated particle structure ranges from stringy ( E ≪ kT ) to compact ( E > kT ) with a transition region in between. This behaviour is analogous to that exhibited by three-dimensional lattice animals. Numerical results are presented comparing the equilibrium adsorbed state structure of a 30-subunit fractal-type deformable particle ( E = 0) with that of a globular deformable particle ( E = 2·5 kT ) and the equivalent linear flexible chain. Variants of this deformable particle model may provide a basis for simulating the adsorption of globular proteins.