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

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Molecular Dynamics Simulation
Molecular dynamics
ice
nucleation
molecular dynamics
proteins
Water
Computer simulation
water
simulation
Temperature
Relaxation time
interactions
Hydrogen
Hydrogen bonds
relaxation time
Molecules
ice nucleation protein
hydrogen bonds
temperature

ASJC Scopus subject areas

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

Cite this

Molecular dynamics simulation of quasi-two-dimensional water clusters on ice nucleation protein. / Murakami, Daisuke; Yasuoka, Kenji.

In: Journal of Chemical Physics, Vol. 137, No. 5, 054303, 07.08.2012.

Research output: Contribution to journalArticle

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