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.
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