Computer simulation of the phase behavior of a model membrane protein: Annexin V
Bates, Martin A., Noro, Massimo G. and Frenkel, Daan (2002) Computer simulation of the phase behavior of a model membrane protein: Annexin V. The Journal of Chemical Physics, 116, (16), 7217-7224. (doi:10.1063/1.1463423)
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Official URL: http://dx.doi.org/10.1063/1.1463423
Description/Abstract
The bulk thermodynamic properties of membrane proteins originate from a complex combination of molecular interactions. We propose a simple model based on the pair interactions between a model membrane protein, annexin V. The experimental observations of a honeycomb (p6) and a triangular (p3) phase are successfully reproduced with Monte Carlo computer simulations. Grand canonical simulations and a newly developed "strip"-move constant pressure technique reveal the stability of a dilute fluid phase and a dense solid phase, not observed with the current experimental technology. While this model is extremely simple in that it relies only on hard-body and short-range directional interactions, it nevertheless captures the essential physics of the interactions between the protein molecules and reproduces the phase behavior observed in experiments.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | 2-dimensional crystallization, microscopy |
| Related URLs: | http://dx.doi.org/10.1063/1.1463423 |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | University Structure - Pre August 2011 > School of Chemistry |
| ePrint ID: | 19669 |
| URI: | http://eprints.soton.ac.uk/id/eprint/19669 |
| Deposited On: | 16 Feb 2006 |
| Last Modified: | 01 Apr 2012 02:01 |
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