On the origin of the polar order of T4 lysozyme on planar model surfaces

Article Abstract:

Site directed spin labeling is used for examining the origin of the macroscopic alignment of T4 lysozyme vectorially tethered to planar biomimetic surfaces. It is shown that the lipid bilayer protein-surface interactions have played little role and the observed order is determined by lateral protein-protein interactions and restrictions due to the length of the histidine tether.

Usage, Biomimetics, Spin labeling

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Comparative study of the effect of tail corrections on surface tension determined by molecular simulation

Article Abstract:

Results from a comparative study of recently introduced tail corrections are presented to calculate surface tension in systems where the dominant long-range interaction is dispersive. It is found that with standard tail corrections the surface tension decreases with increasing cutoff distance reaching a limiting value corresponding to the maximum cutoff possible.

Molecular dynamics, Solid-liquid equilibrium, Surface tension

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Investigation of the phase behavior of an embedded charge protein model through molecular simulation

Article Abstract:

Grand canonical transition matrix Monte Carlo simulation is used for examining the phase behavior of an embedded-charge model for lysozyme. The results have shown that the model is capable of describing qualitative trends in the evolution of protein phase behavior with variation of pH and ionic strength.

Properties

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