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 ...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 proteinice system with water solvent through the dynamics simula-tion 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.展开更多
基金This work was supported by the National Natural Science Foundation of China(No.20271009,20231010,20403003,20503002)the Major State Basic Research Development Program(No.G2004CB719900).
文摘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 proteinice system with water solvent through the dynamics simula-tion 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.
