Molecular dynamics simulation of quasi-two-dimensional water clusters on ice nucleation protein

Daisuke Murakami, Kenji Yasuoka

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We performed molecular dynamics simulations of systems that consisted of the ice nucleation protein and the quasi-two-dimensional water cluster on it. The angle distributions, percolation probabilities, mean cluster sizes, cluster size distributions, and hydrogen bond relaxation times were analyzed. We concluded that the behavior of the water clusters on the ice nucleation protein was elaborately intertwined by the interaction between the ice nucleation protein and water, the interaction between the water molecules and the effect of temperature. The percolation probability and mean cluster size depended on the interactions and temperatures.

Original languageEnglish
Article number054303
JournalJournal of Chemical Physics
Volume137
Issue number5
DOIs
Publication statusPublished - 2012 Aug 7

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Molecular dynamics simulation of quasi-two-dimensional water clusters on ice nucleation protein'. Together they form a unique fingerprint.

  • Cite this