Frontiers in Biology >

2007 , Vol. 2 >Issue 2: 180 - 183

DOI: https://doi.org/10.1007/s11515-007-0025-3

Computational simulations on the fish-type-II antifreeze protein-ice-solvent system

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  • 1.College of Life Sciences, Beijing Normal University, Beijing 100875, China; 2.College of Chemistry, Beijing Normal University, Beijing 100875, China; 3.Technical Institute of Physics and Chemistry, Chinese Academy of Sciences and Graduate School of the Chinese Academy of Sciences, Beijing 100039, China;

Published date: 05 Jun 2007

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Abstract

Based on the computational simulation with the vacuum environment for the fish-type-II antifreeze protein-ice-solvent (water) system, the multi-complex system of the antifreeze protein-ice-water has been constructed and calculated. We have studied the interaction of such protein-ice system with water solvent through the dynamics simulation with 350 ps. By employing the Molecular Dynamics simulation and semi-empirical method calculation, we have further investigated the interface properties of the antifreeze protein and ice crystal combined system. Consequently, a water solvent affects significantly the properties of this combined system.

Cite this article

LIU Kai, WANG Yan, TAN Hongwei, CHEN Guangju, TONG Zhenhe . Computational simulations on the fish-type-II antifreeze protein-ice-solvent system[J]. Frontiers in Biology, 2007 , 2(2) : 180 -183 . DOI: 10.1007/s11515-007-0025-3

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