Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket. Currently, various molecular docking programs are extensively applied; therefore, realizing accuracy and performance of the various docking programs could have a significant value. In this comparative study, the performance and accuracy of three widely used non-commercial docking software (AutoDock Vina, 1-Click Docking, and UCSF DOCK) was evaluated through investigations of the predicted binding affinity and binding conformation of the same set of small molecules (HIV-1 protease inhibitors) and a protein target HIV-1 protease enzy

Many oil and gas processes, including oil recovery, oil transportation, and petroleum processing, are negatively impacted by the precipitation and deposition of asphaltene. Screening methods for determining the stability of asphaltenes in crude oil have been developed due to the high cost of remediating asphaltene deposition in crude oil production and processing. The colloidal instability index, the Asphaltene-resin ratio, the De Boer plot, and the modified colloidal instability index were used to predict the stability of asphaltene in crude oil in this study. The screening approaches were investigated in detail, as done for the experimental results obtained from them. The factors regulating the asphaltene precipitation are different fr

  Acinetobacter baumannii (A. baumannii ) is considered a critical healthcare problem for patients in intensive care units due to its high ability to be multidrug-resistant to most commercially available antibiotics. The aim of this study is to develop a colorimetric assay to quantitatively detect the target DNA of A. baumannii based on unmodified gold nanoparticles (AuNPs) from different clinical samples (burns, surgical wounds, sputum, blood and urine). A total of thirty-six A. baumannii clinical isolates were collected from five Iraqi hospitals in Erbil and Mosul provinces within the period from September 2020 to January 2021. Bacterial isolation and biochemical identification of isolates

The melting duration in the photovoltaic/phase-change material (PV/PCM) system is a crucial parameter for thermal energy management such that its improvement can realize better energy management in respect to thermal storage capabilities, thermal conditions, and the lifespan of PV modules. An innovative and efficient technique for improving the melting duration is the inclusion of an exterior metal foam layer in the PV/PCM system. For detailed investigations of utilizing different metal foam configurations in terms of their convective heat transfer coefficients, the present paper proposes a newly developed mathematical model for the PV/PCM–metal foam assembly that can readily be implemented with a wide range of operating condition

The Maxwell equations have been formulated for a composite slab waveguide at x-band wave propagation. The eigenvalues of the system equations are obtained by using MATLAB program. These eigenvalues are used to obtain the wave propagation constant and a number of modes inside the slabs. A good correspondence was seen between the number of modes and the cut off thickness. The parameter that affects the performance of waveguide is the slab thickness. The propagation constant is usually adopted to characterize this type of waveguide and show how the cutoff frequency of the mode in the slab is increased dramatically by decreasing the frequency.
Our study focused on lower modes, the results for the transmission coefficient are then used to

Test anxiety for intermediate level The current study aims to measure the test anxiety of research’s sample and to identify the statistical differences of test anxiety, considering two variables gender and students classes level (first and third intermediate class). To do this, a stratified random sampling of (300) student from first and third intermediate classes had selected from both the karkh and Rusafa sides of Baghdad province for the academic year 2015-2016. The author tested the whole sample by using the test anxiety scale that had tested for its validity and reliability. The results revealed that the research’s sample as a whole was suffering from test anxiety, there were a statistical differences between male and female tha