2008
DOI: 10.1021/jp711977g
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Growth Inhibition Mechanism of an Ice–Water Interface by a Mutant of Winter Flounder Antifreeze Protein: A Molecular Dynamics Study

Abstract: Molecular dynamics (MD) simulations of a growing ice-water interface of a pyramidal {2021} plane in the presence of a mutant of winter flounder antifreeze protein (AFP) were conducted. Simulation results indicated that the AFP was partially surrounded by ice grown at the pyramidal interface. The AFP stably bound to the interface only when AFP hydrophobic residues bound to ice. Simulation results also indicated a drastic decrease in the growth velocity of the ice surrounding the stably bound AFP, in agreement w… Show more

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Cited by 74 publications
(91 citation statements)
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“…38 This is the first computer simulation study analyzing the stability of binding of AFP at growing ice-water interfaces and the molecularscale growth kinetics of ice at the interface. An outline of this study is presented below.…”
Section: Simulations Of Ice Growth Inhibition By Afpsmentioning
confidence: 99%
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“…38 This is the first computer simulation study analyzing the stability of binding of AFP at growing ice-water interfaces and the molecularscale growth kinetics of ice at the interface. An outline of this study is presented below.…”
Section: Simulations Of Ice Growth Inhibition By Afpsmentioning
confidence: 99%
“…Details of the simulation method are given in Nada and Furukawa. 38 Growth of ice around AFP Figure 6 shows snapshots of AFP and water molecules in a state resembling ice at 4 ns for all conformations. Water molecules in this state are defined to be connected by hydrogen bonds to each of their four nearest neighbors.…”
Section: Simulationmentioning
confidence: 99%
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