نتایج جستجو برای: radius of gyration
تعداد نتایج: 21165854 فیلتر نتایج به سال:
the aim of this article is to extend the study of the lorentz transformation of order (m,n) from m=1 and n>=1 to all m,n>=1, obtaining algebraic structures called a bi-gyrogroup and a bi-gyrovector space. a bi-gyrogroup is a gyrogroup each gyration of which is a pair of a left gyration and a right gyration. a bi-gyrovector space is constructed from a bi-gyrocommutative bi-gyrogroup that admits ...
A new simulation strategy based on a stochastic process has been developed and tested to study the structural properties of the unfolded state of proteins at the atomistic level. The procedure combines a generation algorithm to produce representative uncorrelated atomistic microstructures and an original relaxation method to minimize repulsive non-bonded interactions. Using this methodology, a ...
Small-angle x-ray scattering was used to investigate structural changes upon binding of individual substrates or a transition state analog complex (TSAC; Mg-ADP, creatine, and KNO3) to creatine kinase (CK) isoenzymes (dimeric muscle-type (M)-CK and octameric mitochondrial (Mi)-CK) and monomeric arginine kinase (AK). Considerable changes in the shape and the size of the molecules occurred upon b...
nanopartmles have been used as an approach to improve the pharmacodynamic and phannacokinetie propertiesof various drues. amino acids have been considered to be useful to make such nano particles because ofthocompatithe and biodegradable characteristic. the quantum mechanical method that was chosen to analyze inethio hexa peptide nano ring]. the structure of some peptide nanorrigs as well as th...
Protein conformational fluctuations are highly complex and exhibit long-term correlations. Here, molecular dynamics simulations of small proteins demonstrate that these directly affect the protein's instantaneous diffusivity $D_I$. We find radius gyration $R_g$ exhibits $1/f$ fluctuations, synchronous with Our analysis demonstrates validity local Stokes-Einstein type relation $D_I\propto1/(R_g ...
Abstract: In this work, the amounts of the adsorption of conjugated polymers onto graphene/ graphene oxide were examined by reactive force-field molecular dynamics simulation. The polymers were poly(3-hexylthiophene) (P3HT) and poly(phenothiazine vinylene-polythiophene)(PTZV-PT). The length and width of the graphene sheet were 95.19 Å and 54.16 Å, respectively. The graphene oxide sheets with di...
Predicting translational diffusion of evolutionary conserved RNA structures by the nucleotide number
Ribonucleic acids are highly conserved essential parts of cellular life. RNA function is determined to a large extent by its hydrodynamic behaviour. The presented study proposes a strategy to predict the hydrodynamic behaviour of RNA single strands on the basis of the polymer size. By atom-level shell-modelling of high-resolution structures, hydrodynamic radius and diffusion coefficient of evol...
Recent simulations have indicated that the thermodynamic properties and the glassy dynamics of polymer melts are strongly influenced by the average molecular shape, as quantified by the radius of gyration tensor of the polymer molecules, and that the average molecular shape can be tuned by varying the molecular topology (e.g., ring, star, linear chain, etc.). In the present work, we investigate...
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