The Proceedings of the Thermal Engineering Conference
Online ISSN : 2424-290X
2004
Session ID : D151
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Molecular Dynamics Simulation on Alanine Tetra-peptide near Ice-Water Interface
Kazuhisa IWASAKIYoshimichi HAGIWARA
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Abstract
We have carried out a molecular dynamics simulation for a mixture of an ice nucleus, supercooled water and a molecule of alanine tetra-peptide (A4) model. The A4 model has a herical structure which stands for a part of the antifreeze protein type I . This model has been set near the ice nucleus and had a slight fluctuating motion near the initial position. It is found that water molecules have some structures ,which are irrespective of the growth of ice crystals. This is confirmed from the angular distribution function of the water molecules in the near ice region.
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© 2004 The Japan Society of Mechanical Engineers
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