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)


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
Issue number35
Publication statusPublished - Sep 21 2011
Externally publishedYes


ASJC Scopus subject areas

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

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