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HomeAuthorsGunton J.D.

Authors: Gunton J.D.

A Monte Carlo Study of a Model of Globular Protein Nanoparticles

Pagan D.L., Gracheva M.E., Gunton J.D., Lehigh University, US
We explore the metastable fluid-fluid coexistence curve of the modified Lennard-Jones model of globular proteins of ten Wolde and Frenkel [4]. Using grand canonical Monte Carlo simulations along with mixed-field finitesize scaling and histogram rewighting, [...]

Self Assembly of Globular Protein Nanoparticles

Shiryayev A., Gunton J.D., Lehigh University, US
A continuum model of the self-assembly of globular protein nanoparticles proposed by Talanquer and Oxtoby (J. Chem. Phys. 109, 223 (1998)) is investigated numerically, with particular emphasis on the region near the metastable fluid-fluid coexistence [...]

Monte Carlo Study of Models of Membrane Proteins

Connor T.P., Pagan D.L., Shiryayev A., Gunton J.D., Lehigh University, US
The crystallization of membrane proteins from solution is sensitive to the role of initial conditions. In order to understand this dependence, we report preliminary results for two models for membrane proteins, each with short range [...]

Crystallization of Membrane Protein Nanoparticles

Shiryayev A., Holby E.F., Gunton J.D., Lehigh University, US
The self-assembly of membrane proteins from solution into two-dimensional crystals is studied numerically using a continuum model proposed by Talanquer and Oxtoby (J. Chem. Phys. 109, 223 (1998)). Although the mean ¯eld theory presented here [...]

Stochastic Simulations of Cell-Cell Signalling in Hepatocytes

Gracheva M.E., Toral R., Gunton J.D., Lehigh University, US
We present results of a Monte Carlo simulation of stochastic effects for two models of intercellular calcium wave propagation in rat hepatocytes. Both models involve gap junction diffusion by a second messenger. In general taking [...]

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