Molecular dynamics simulation of the enhancement of cobra cardiotoxin and E6 protein binding on mixed self-assembled monolayer molecules

Hung SW; Hwang JK; Tseng F; Chang JM; Chen CC; Chieng CC

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Molecular dynamics simulation of the enhancement of cobra cardiotoxin and E6 protein binding on mixed self-assembled monolayer molecules

机译：混合自组装单分子分子增强眼镜蛇心毒素和E6蛋白结合的分子动力学模拟

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Molecular dynamics simulations are performed on n-alkinethiol self-assembled monolayers (SAMs) and their mixture on a gold surface so that the orientations of the binding of cobra cardiotoxin and E6 protein molecules can be selected using the mixing, ratio of CH3-terminated SAMs with different chain lengths. The simulations suggest that a SAM surface with different mixing ratios may provide a possible platform for aligning protein molecules with a desired orientation and for enhancing the binding energy of the protein on the designed surface.

机译：在金表面上对正链硫醇自组装单分子膜（SAM）及其混合物进行分子动力学模拟，以便可以使用CH3端接的SAM的混合比例来选择眼镜蛇心毒素和E6蛋白分子的结合方向具有不同的链长。模拟表明，具有不同混合比的SAM表面可能为对齐具有所需方向的蛋白质分子和增强蛋白质在设计表面上的结合能提供了可能的平台。

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《Nanotechnology》 |2006年第4期|共6页
作者
Hung SW; Hwang JK; Tseng F; Chang JM; Chen CC; Chieng CC;
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正文语种 eng
中图分类一般工业技术;
关键词
ATOMIC-FORCE MICROSCOPY; P-TYPE CARDIOTOXIN; MEMBRANES; MODE;

机译：原子力显微镜;P型心毒素;膜;模式;

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1. Molecular dynamics simulation of the enhancement of cobra cardiotoxin and E6 protein binding on mixed self-assembled monolayer molecules [J] . Hung SW, Hwang JK, Tseng F, Nanotechnology . 2006,第4期

机译：混合自组装单分子分子增强眼镜蛇心毒素和E6蛋白结合的分子动力学模拟
2. Thermodynamic Investigations Using Molecular Dynamics Simulations with Potential of Mean Force Calculations for Cardiotoxin Protein Adsorption on Mixed Self-Assembled Monolayers [J] . Shih-Wei Hung, Pai-Yi Hsiao, Ming-Chang Lu The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2012,第42期

机译：使用分子动力学模拟进行热力学研究，并利用平均力计算方法对混合自组装单分子膜上的心脏毒素蛋白进行吸附
3. Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation [J] . Shih-Wei Hung Pai-Yi Hsiao and Ching-Chang Chieng Journal of Chemical Physics . 2011,第19期

机译：使用操纵分子动力学模拟从甲基终止的自组装单层解吸心脏毒素蛋白的动态信息
4. Enhancement of E6 Protein Binding on Binding-Orientation-Sensitive Mixed SAMs Molecules [C] . F.G. Tseng, J. K. Hwang, S. W. Hung, NSTI Nanotechnology Conference and Trade Show(NSTI Nanotech 2005) vol.1; 20050508-12; Anaheim,CA(US) . 2005

机译：结合方向敏感的混合SAMs分子上E6蛋白结合的增强。
5. Molecular-dynamics simulations of self-assembled monolayers (SAM) on parallel computers. [D] . Vemparala, Satyavani. 2003

机译：并行计算机上自组装单分子膜（SAM）的分子动力学模拟。
6. Investigating Small-Molecule Ligand Binding to G Protein-Coupled Receptors with Biased or Unbiased Molecular Dynamics Simulations [O] . Kristen A. Marino, Marta Filizola -1

机译：用偏或无偏分子动力学模拟研究小分子配体与G蛋白偶联受体的结合。
7. Studies of Cardio Toxin Protein Adsorption on Mixed Self-Assembled Monolayers Using Molecular Dynamics Simulations [O] . Shih-Wei Hung, Pai-Yi Hsiao, Ching-Chang Chieng 2012

机译：用分子动力学模拟对混合自组装单层对混合自组装单层的毒素蛋白吸附研究
8. Studies on Cardiotoxin and Vasoactive Substance Releasing Component(s) of Cobra Venom. Comparison of Hemodynamic Effects of Cardiotoxin with those of Cobra Venom. [R] . lee,chen-yuan 1971

机译：眼镜蛇毒心脏毒素和血管活性物质释放成分的研究。心脏毒素与眼镜蛇毒血流动力学效应的比较。

Molecular dynamics simulation of the enhancement of cobra cardiotoxin and E6 protein binding on mixed self-assembled monolayer molecules

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