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第一类抗冻蛋白与冰晶相互作用能的简单计算(英文)

A simple calculation of interaction energy of type Ⅰ antifreeze proteins with ice crystals
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摘要 第一类抗冻蛋白分子上的苏氨酸或缬氨酸对其在冰晶表面的吸附起主要作用,在此观点的基础上,认为抗冻蛋白分子在冰晶表面的吸附依赖于这些氨基酸上的甲基与冰晶的vander Waals相互作用,从理论上计算了第一类抗冻蛋白分子与冰晶的相互作用能,给出了几种第一类抗冻蛋白分子与冰晶的相互作用能.计算结果与实验结果符合较好. Based on the viewpoint that the hydrophobic methyl groups on threonines or valines play the main roles for the binding mechanism of type Ⅰ antifreeze proteins,it has been suggested that the adsorption of antifreeze proteins on the ice crystals is due to van der Waals interactions between these methyl groups and ice crystals,then the interaction energy between a type Ⅰ antifreeze protein and an ice crystal is calculated theoretically,and it also gives the interaction energies of some mutants of a type I antifreeze protein and the ice.The calculation results are in good agreement with the experimental data.
出处 《内蒙古大学学报(自然科学版)》 CAS CSCD 北大核心 2010年第3期301-306,共6页 Journal of Inner Mongolia University:Natural Science Edition
基金 Supported by the Natural Science Foundation of China(Nos.10764003 and 30560039)~~
关键词 抗冻蛋白-冰晶相互作用 vander Waals相互作用 甲基 AFP-ice interaction van der Waals interaction methyl group
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参考文献24

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