nanostudy and simulation of carbon nanotube binding to amino acids using by molecular mechanics method
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منابع مشابه
Separation of ibuprofen drugs enantiomers by using chiral carbon nanotube with molecular dynamics simulation
Background: The separation of drug enantiomers in the pharmaceutical industry is of great importance since most organic compounds are chiral. The main purpose of this study was to calculate the binding energy of ibuprofen isomers interacting with the CNT, according to various adsorption configurations. Moreover, we have evaluated the performance of (16.4) chiral carbon nanotube for separation o...
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To realize the incredible structural applications potential of carbon nanotubes, it is important to characterize their material response. Molecular simulations offer advantages over physical testing due to their cost effectiveness, versatility and precision. Two continuum models for single wall nanotubes (SWNT) were previously developed based on the results from molecular simulations using two ...
متن کاملThe Molecular Mechanics Model of Carbon Allotropes
Carbon can form numerous allotropes because of its valency. Graphene, carbon nanotubes,capped carbon nanotubes, buckyballs, and nanocones are well-known polymorphs of carbon.Remarkable mechanical properties of these carbon atoms have made them the subject of intenseresearch. Several studies have been conducted on carbon nanotubes or graphene. In the presentstudy, the molecular mechanics method ...
متن کاملComputational Investigation on Structural Properties of Carbon Nanotube Binding to Nucleotides According to the QM Methods
The interaction between nucleotides and carbon nanotubes (CNTs) is a subjectof many investigations for treating diseases but there are many questions in this field thatremain unanswered. Because of experimental methods involve assumptions andinterpretation besides limitations, there are many problems that the best study for them isusing theoretical study. Consequently, t...
متن کاملIdentification of Amino Acids Involve in Indium Binding To Serum Human Apo-Transferrin
Indium is a heavy metal belonging to group IIIa. It is used as a radioimaging and chemotherapeutic agent in diagnosis and also in the treatment of cancers. It is believed that indium may interfere with iron metabolism and reduce cell growth in cancer tissue. The present report was established to study the binding of iron and indium to apo-transferrin (apo-tf) and to identify amino acids involv...
متن کاملDynamic Analysis of Cylindrically Layered Structures Reinforced by Carbon Nanotube Using MLPG Method
This paper deals with the dynamic analysis of stress field in cylindrically layeredstructures reinforced by carbon nanotube (CLSRCN) subjected to mechanical shock loading.Application of meshless local integral equations based on meshless local Petrov-Galerkin(MLPG) method is developed for dynamic stress analysis in this article. Analysis is carriedout in frequency domain by applying the Laplace...
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عنوان ژورنال:
research in pharmaceutical sciencesجلد ۷، شماره ۵، صفحات ۰-۰
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