Possible mechanism underlying high-pressure unfolding of proteins: Formation of a short-period high-density hydration shell

Tomonari Sumi, Hideo Sekino

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Hydration effects on high-pressure unfolding of a hydrophobic polymer chain are investigated through a multiscale simulation based on density-functional theory. The results strongly suggest the following: a thermodynamic origin for high-pressure denaturation, i.e., the decrease in volume due to the unfolding can be explained by the formation of a short-period high-density hydration shell.

Original languageEnglish
Pages (from-to)15829-15832
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume13
Issue number35
DOIs
Publication statusPublished - Sep 21 2011
Externally publishedYes

Fingerprint

Hydration
hydration
proteins
Denaturation
biopolymer denaturation
Density functional theory
Polymers
Proteins
Thermodynamics
density functional theory
thermodynamics
polymers
simulation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Possible mechanism underlying high-pressure unfolding of proteins : Formation of a short-period high-density hydration shell. / Sumi, Tomonari; Sekino, Hideo.

In: Physical Chemistry Chemical Physics, Vol. 13, No. 35, 21.09.2011, p. 15829-15832.

Research output: Contribution to journalArticle

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