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

LIU Kai1, WANG Yan2, TAN Hongwei2, CHEN Guangju2, TONG Zhenhe3

Front. Biol. ›› 2007, Vol. 2 ›› Issue (2) : 180-183.

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PDF(454 KB)
Front. Biol. ›› 2007, Vol. 2 ›› Issue (2) : 180-183. DOI: 10.1007/s11515-007-0025-3

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

  • LIU Kai1, WANG Yan2, TAN Hongwei2, CHEN Guangju2, TONG Zhenhe3
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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.

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LIU Kai, WANG Yan, TAN Hongwei, CHEN Guangju, TONG Zhenhe. Computational simulations on the fish-type-II antifreeze protein-ice-solvent system. Front. Biol., 2007, 2(2): 180‒183 https://doi.org/10.1007/s11515-007-0025-3
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