title: Computer modeling protein-metal nanoparticles interactions for molecular electronics developing
title: Ð²ÑÐ¿ÑÑÐºÐ½Ð°Ñ ÐºÐ²Ð°Ð»Ð¸ÑÐ¸ÐºÐ°ÑÐ¸Ð¾Ð½Ð½Ð°Ñ ÑÐ°Ð±Ð¾ÑÐ° Ð¼Ð°Ð³Ð¸ÑÑÑÐ°
titleType: Subtitle
Creators: name: Ð¦ÑÐ¹ Ð¨Ð¸ÑÐ¹
Publisher: name: Ð¡Ð°Ð½ÐºÑ-ÐÐµÑÐµÑÐ±ÑÑÐ³ÑÐºÐ¸Ð¹ Ð¿Ð¾Ð»Ð¸ÑÐµÑÐ½Ð¸ÑÐµÑÐºÐ¸Ð¹ ÑÐ½Ð¸Ð²ÐµÑÑÐ¸ÑÐµÑ ÐÐµÑÑÐ° ÐÐµÐ»Ð¸ÐºÐ¾Ð³Ð¾
Year: 2023
Subjects: Ð­Ð»ÐµÐºÑÑÐ¾Ð½Ð¸ÐºÐ°
ÐÐ¾Ð´ÐµÐ»Ð¸ÑÐ¾Ð²Ð°Ð½Ð¸Ðµ
Ð¼ÐµÑÐ¾Ð´ Ð¼Ð¾Ð»ÐµÐºÑÐ»ÑÑÐ½Ð¾Ð³Ð¾ Ð¼Ð¾Ð´ÐµÐ»Ð¸ÑÐ¾Ð²Ð°Ð½Ð¸Ñ
Ð±Ð¸Ð¾Ð¼Ð¾Ð»ÐµÐºÑÐ»Ñ
Ð½Ð°Ð½Ð¾ÑÐ°ÑÑÐ¸ÑÑ
molecular simulation method
biomolecules
nanoparticles

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description: Object under investigation â The interaction of alanine molecules and gold nanoparticles. Goal of project â Analyze alanine biomolecule dynamics around gold nano-particle by molecular simulation method. This work is about using molecular simulation method to analyze alanine bi-omolecule dynamics around gold nanoparticle. Today the molecular electronics is developed, because it can provide new ideas and methods for scientific and industrial development. It can also increase un-derstanding of molecular behavior and interactions. And it can provide solutions for environmental and life operations. So, we describe molecular electronics as a prom-ising electronic. And one of the interested parts in this developing is NPs. Because NPs usual-ly have high surface free energy that regulates their binding and special physico-chemical and optical properties . In protein solutions NPs are usually coated by bi-omolecules, forming a âprotein coronaâ. Size and composition of this corona de-pends on material and size of NPs, proteins concentration, their kinetic and equilib-rium binding affinities . By controlling the size and molecular concentration of na-noparticles, the aggregation and adsorption of biomolecules on metal nanoparticles can be regulated. We show that NPs-protein interactions is possible way to develop NP biomolecular composites with the expected performance of biomolecular elec-tronics. In this work we used Nano Scale Molecular Dynamics v.2.14 program. It has shown, that as the number of particles increased, most of the molecules assembled into clusters with each other and less of them contact with NP. With an increase in the number of alanine molecules in studied systems, the quantity of mo-lecular clusters increases. In addition, alanine clusters often bind with Au nanoparti-cle by one alanine molecule. We Obtained that by controlling the size of nanoparti-cles and the concentration of molecules, It is possible to regulate the aggregation and adsorption of biological molecules on a metallic nanoparticle.