| 第一类抗冻蛋白与冰晶相互作用能的简单计算 |
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| 引用本文： | 栗丽芬,梁希侠,李前忠.第一类抗冻蛋白与冰晶相互作用能的简单计算[J].内蒙古大学学报(自然科学版),2010,41(3). |
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| 作者姓名： | 栗丽芬 梁希侠 李前忠 |
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| 作者单位： | 内蒙古大学物理系,呼和浩特,010021 |
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| 基金项目： | 国家自然科学基金资助项目 |
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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van der 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.
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| 关 键 词： | 抗冻蛋白-冰晶相互作用 Waals相互作用 甲基 |
A simple calculation of interaction energy of type I antifreeze proteins with ice crystals |
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| LI Li-fen,LIANG Xi-xia,LI Qian-zhong.A simple calculation of interaction energy of type I antifreeze proteins with ice crystals[J].Acta Scientiarum Naturalium Universitatis Neimongol,2010,41(3). |
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| Authors: | LI Li-fen LIANG Xi-xia LI Qian-zhong |
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| Abstract: | 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. |
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| Keywords: | van der AFP-ice interaction van der Waals interaction methyl group |
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