Nano Science and Technology Institute
Nanotech 2004 Vol. 1
Nanotech 2004 Vol. 1
Technical Proceedings of the 2004 NSTI Nanotechnology Conference and Trade Show, Volume 1
 
Chapter 5: Bio Nano Computational Methods and Applications
 

A Monte Carlo Study of a Model of Globular Protein Nanoparticles

Authors:D.L. Pagan, M.E. Gracheva and J.D. Gunton
Affilation:Lehigh University, US
Pages:172 - 175
Keywords:nano-particle, self-assembly, Monte Carlo, proteins
Abstract: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, we estimate the critical temperature to be T°Ë c (1) = :4145(5) at infinite volume. The subcritical region of the metastable fluid-fluid coexistence curve is obtained using the hyperparallel tempering method. In close proximity to the critical point, a region previously unattained by simulation, the phase diagram is calculated.
A Monte Carlo Study of a Model of Globular Protein NanoparticlesView PDF of paper
ISBN:0-9728422-7-6
Pages:521
Hardcopy:$79.95
 
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