桃小食心虫化学感受蛋白CSP16配体结合特性
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刘孝贺,仇贵生,佟兆国,张怀江,闫文涛,岳强,孙丽娜
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Ligands Binding Characteristics of Chemosensory Protein CsasCSP16 of Carposina sasakii
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XiaoHe LIU,GuiSheng QIU,ZhaoGuo TONG,HuaiJiang ZHANG,WenTao YAN,Qiang YUE,LiNa SUN
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表2 CsasCSP16与配体分子的结合自由能和组分
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Table 2 The binding free energy and components of ligand molecule
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配体
Ligand name | 范德华力
Val der Waals
(kJ·mol-1) | 静电作用力
Electrostatic force (kJ·mol-1) | 极性溶剂化能
Polar solvation energy (kJ·mol-1) | 非极性溶剂化能
Nonpolar solvation energy (kJ·mol-1) | 结合能
Binding energy (kJ·mol-1) | 水杨酸甲酯
Methyl salicylate | -82.466
(0.682) | -18.084
(0.850) | 61.336
(0.750) | -11.103
(0.055) | -50.264
(0.702) | 6-甲基-5-庚烯-2酮
6-methyl-5-hepten-2-one | -93.570
(0.927) | -16.158
(1.325) | 55.604
(0.973) | -11.428
(0.061) | -65.551
(1.080 ) | 十五烷
Pentadecane | -164.748
(0.845) | -0.969
(0.069) | 49.259
(0.848) | -19.537
(0.089) | -136.035
(1.047) | 庚酸丁酯
Butyl heptanoate | -109.800
(0.787) | -1.567
(0.211) | 33.365
(0.782) | -15.787
( 0.079) | -93.805
(1.191) |
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