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arXiv · cond-mat/0311551

A Finite-Size Scaling Study of a Model of Globular Proteins

D. L. Pagan·M. E. Gracheva·J. D. Gunton
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Abstract

Grand canonical Monte Carlo simulations are used to explore the metastable fluid-fluid coexistence curve of the modified Lennard-Jones model of globular proteins of ten Wolde and Frenkel (Science, v277, 1975 (1997)). Using both mixed-field finite-size scaling and histogram reweighting methods, the joint distribution of density and energy fluctuations is analyzed at coexistence to accurately determine the critical-point parameters. The subcritical coexistence region is explored using the recently developed hyper-parallel tempering Monte Carlo simulation method along with histogram reweighting to obtain the density distributions. The phase diagram for the metastable fluid-fluid coexistence curve is calculated in close proximity to the critical point, a region previously unattained by simulation.

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D. L. Pagan, M. E. Gracheva, J. D. Gunton. 2004-02-02. A Finite-Size Scaling Study of a Model of Globular Proteins. https://doi.org/10.1063/1.1689295

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