title: 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 (approximately 2 kbars) 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.
authors.affiliation: Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA. manuel@argento.bu.edu
authors.forename: Manuel I
authors.initials: MI
authors.lastname: Marqués
authors.forename: Jose M
authors.initials: JM
authors.lastname: Borreguero
authors.forename: H Eugene
authors.initials: HE
authors.lastname: Stanley
authors.forename: Nikolay V
authors.initials: NV
authors.lastname: Dokholyan
mesh_terms: D000818:Animals; D002417:Cattle; D003080:Cold Temperature; D008956:Models, Chemical; D009010:Monte Carlo Method; D011312:Pressure; D011489:Protein Denaturation; D011506:Proteins / Q000737:chemistry*; D012259:Ribonuclease, Pancreatic / Q000737:chemistry
chemical_list: D011506:Proteins; D012259:Ribonuclease, Pancreatic