4 papers · 1 filter
Simple Model of Sickle Hemogloblin
Andrey Shiryayev, Xiaofei Li, James D. Gunton
A microscopic model is proposed for the interactions between sickle hemoglobin molecules based on information from the protein data bank. A Monte Carlo simulation of a simplified t…
Simple Model of Membrane Proteins Including Solvent
D. L. Pagan, A. Shiryayev, T. P. Connor +1
We report a numerical simulation for the phase diagram of a simple two dimensional model, similar to one proposed by Noro and Frenkel [J. Chem. Phys. \textbf{114}, 2477 (2001)] for…
Role of solvent for globular proteins in solution
A. Shiryayev, D. L. Pagan, J. D. Gunton +3
The properties of the solvent affect the behavior of the solution. We propose a model that accounts for the contribution of the solvent free energy to the free energy of globular p…
Crystal nucleation for a model of globular proteins
Andrey Shiryayev, James D. Gunton
A continuum model of globular proteins proposed by Talanquer and Oxtoby (J. Chem. Phys. vol. 109, p. 223 (1998)) is investigated numerically, with particular emphasis on the region…