The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...

This article surveys the present state of the transfer operator approach to the effective dynamics of metastable dynamical systems and the variety of algorithms associated with it.

Acetyl-coenzyme A carboxylase α (ACC-alpha) is considered as the key regulatory enzyme in fatty acid biosynthesis. ACC-alpha gene is located on Caprine chromosome 11 and is polymorphic in many goat breeds. In the current study, we aimed to find possible single nucleotide polymorphisms (SNPs) in the exon 1 region of the ACC-alpha gene in Iranian Mahabadi goat breed. Genomic DNA was extracted fro...

The molecular structure of the stable conformation of phosphonic acid in gas phase has beencomputed by employing complete geometry optimization in Density Functional Theory(DFT) methods. The methods used for calculations are B3LYP, BP86 and B3PW91 that havebeen studied in two series of basis sets: D95** and 6-31+G(d,p) for hydrogen and oxygenatoms; LANL2DZ for phosphorus. Bond lengths and angle...

Molecular modeling analysis of charge density and heat of fornation by PM3 method as well as C, H NMR and 2D-NMR measurements of histidine (substrate) and some of its derivatives as histidine decarboxylase inhibitors were performed. It was established that the atom, usually nitrogen, which forms internal aldimine with pyridoxal5 -phosphate (PLP), (coenzyme), has negative and almost equal ...

thermal conformational changes in human serum albumin (hsa) in present with a 10 mm phosphate buffer, at ph=7 have been investigated via circular dichroism (cd) and uv spectroscopic methods. the results indicate that temperature in a range of 25oc to 55oc could induce a reversible conformational change in the structure of hsa. the hsa phase transition corresponds to the physiological and pathol...

Conformational transitions of double-stranded DNA in different environments have long been studied as vital parts both vitro and vivo processes. In this study, utilizing Fourier transform infrared spectroscopy (FTIR), we provide detailed analysis dynamics A- to B-form thin films hydrated states based on a statistical substantial number spectra band shape (peak fitting) the phosphate (1150–1000 ...