Abstract

Molecular dynamics has been employed to study conformational rearrangements of polyampholytic polypeptides adsorbed on the surface of a metal nanoparticle, with the rearrangements being caused by changes in the direction of particle polarization at a frequency corresponding to microwave electric field. The time dependences of the dipole moments, as well the radial and angular density distributions of adsorbed polypeptide atoms upon the prepolarization of the nanoparticle, have been calculated. The rearrangements occurring in the conformational structure of a polyampholytic polypeptide adsorbed on the nanoparticle upon periodic changes in the particle polarization direction are accompanied by two effects: fluctuations in the conformational structure of the polypeptide and the formation of a ring of macromolecules in the equatorial region of the nanoparticle.

中文翻译：

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微波电场中金属纳米粒子表面上多肽多肽的构象重排：分子动力学模拟

摘要

分子动力学已被用于研究吸附在金属纳米颗粒表面上的多ampholytic多肽的构象重排，重排是由颗粒极化方向在对应于微波电场的频率上的变化引起的。已经计算了偶极矩的时间依赖性，以及在纳米粒子的预极化时吸附的多肽原子的径向和角密度分布。粒子极化方向发生周期性变化时，吸附在纳米粒子上的多溶性多肽的构象结构发生重排，并伴有两种作用：