Aqueous Shell Chirality Research of Varying Thickness

被引:0
|
作者
Khakhalin, A., V [1 ]
Gradoboeva, O. N. [1 ]
机构
[1] Moscow MV Lomonosov State Univ, Dept Mol Proc & Extreme States Matter, Fac Phys, Moscow 119991, Russia
关键词
Chirality; Aqueous Shell; Computer Modeling; Conjugate Gradients; CONTINUOUS SYMMETRY MEASURES; POSITIVE APPROACH;
D O I
10.1145/3175587.3175601
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
The paper dwells on the study of chirality of aqueous systems containing extrinsic chiral biological molecules of L-, D-valine and L-, D-glycerose and water clusters (H2O)(4). Aqueous were obtained using the Avogadro software with the Conjugate Gradients algorithm. Using the Solvate software, molecules of L-, D-glycerose and L-, D-valine and water clusters (H2O)(4) have been surrounded with the layer of H2O molecules of given thickness. The thickness varied from 4 angstrom to 14 angstrom with a step of 2 angstrom. The research indicated that for the aqueous system containing L-glycerose with 8 angstrom thick aqueous layer the number of right-handed aqueous shells in the sample is greater than that of left-handed those. At that, for the system containing D-valine with 4 angstrom thick aqueous layer the number of left-handed aqueous shells in the sample is greater than that of right-handed those.
引用
收藏
页码:15 / 19
页数:5
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