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 | 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. | | ISBN: | 0-9728422-7-6 |
| Pages: | 521 |
| Hardcopy: | $150.00 |
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