A possible mechanism for cold denaturation of proteins at high pressure

Abstract

We study cold denaturation of proteins at high pressures. Using multicanonical Monte Carlo simulations of a model protein in a water bath, we investigate the effect of water density fluctuations on protein stability. We find that above the pressure where water freezes to the dense ice phase ($\approx 2$ kbar), the mechanism for cold denaturation with decreasing temperature is the loss of local low-density water structure. We find our results in agreement with data of bovine pancreatic ribonuclease A.

4 pages for double column and single space. 3 figures Added references Changed content

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• Dynamic phase diagrams of the Blume-Capel model in an oscillating field by the path probability method
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• Test of cold denaturation mechanism for proteins as a function of water's structure
• Spin Effects in Quantum Chromodynamics and Recurrence Lattices with Multi-Site Exchanges