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

This research introduces a developed analytical method to determine the nominal and maximum tensile stress and investigate the stress concentration factor. The required tooth fillets parametric equations and gears dimensions have been reformulated to take into account the asymmetric fillets radiuses, asymmetric pressure angle, and profile shifting non-standard modifications. An analytical technique has been developed for the determination of tooth weakest section location for standard, asymmetric fillet radiuses, asymmetric pressure angle and profile shifted involute helical and spur gears. Moreover, an analytical equation to evaluate gear tooth-loading angle at any radial distance on the involute profile of spur and hel

Semi-empirical methods were applied for calculating the vibration frequencies and IR absorption intensities for normal coordinates of the {mono (C₅₆H₂₈), di (C₈₄H₂₈), tri (C₁₁₂H₂₈) and tetra (C₁₄₀H₂₈)} -rings layer for (7,7) armchair single wall carbon nanotube at their equilibrium geometries which were all found to have D₇d symmetry point group.

Assignment of the modes of vibration (3N-6) was done depending on the pictures of their modes by applying (Gaussian 03) program. Comparison of the vibration frequencies of (mono, di, tri and tetra) rings layer which are active in IR, and inactive in Ramman spectra. For C-H stretching vibrat

The research dealt with a topic that has been practiced and transmitted news in satellite channels in recent years a lot. That is to say the role of satellite channels in the culture of a protest. In general, this study aims to reach to know the extent of the impact of television, especially the impact of the programs that bear the contents of protest and remonstration on the public; and what can be resulted out of these programs as cognitive, emotional and behavioral effects as a result of the individual's exposure to these programs and their impact from the culture of pretense. In addition to that, the research was interested in explaining the role of Iraqi satellite channels in developing and cultivating such culture; and following up

Objective: The present study aimed to shed light on the role of narghileh and cigarette smoking on immunity status of oral cavity by assess (C3 complement component, Immunoglobulin A, Total protein, α-Amylase and EBV IgG antibody). Method: Saliva levels in two smokers groups the first include 28 narghileh smokers and the second include 32 narghileh and cigarette smokers as well as 30 non-smokers consider as control. Results: As compared control, the levels of C3, IgA and total protein were significantly decreased, and the highest decreased was observed in saliva of narghileh and cigarette smokers, the result was (C3= 0.400±0.194 µg vs. 9.728±3.561 µg; IgA= 2.460±0.492 mg/dl vs. 5.048±0.937 mg/dl; Total protein= 170.20±45.93 mg% vs.

Microfinance Institutions (MFIs) offers small loans with easy repayment system and till now these institutions have served millions of needy people around the globe. This study highlights the hurdles influence the smooth working and growth of Microfinance institution in Egypt. The structured interviews were conducted from the top and mid-level managers of MFI's. This study revealed that interest rate, political and economic conditions, corruption, customer outreach, competition and technology are the important elements for MFI's success. It is evident that lack of use of technology and less importance drawn on customer outreach programs are the main challenges of MFI's in Egypt. This study provides a roadmap for practitioners and strategic

 Polyaniline organic Semiconductor polymer was prepared by oxidation polymerization by adding hydrochloric acid concentration of 0.1M and potassium per sulfate concentration of 0.2M to 0.1M of aniline at room temperature, the polymer was deposited at glass substrate, the structural and optical properties were studies through UV-VIS, IR, XRD measurements, films have been operated as a sensor of vapor  H₂SO₄ and HCl  acids.

Piezoelectric structures are nowadays used in many different applications. A better understanding of the influence of material properties and geometrical design on the performance of these structures helps to develop piezoelectric structures specifically designed for their application. Different equivalent circuits have been introduced in the literature to investigate the behaviour of piezoelectric transducers. The model parameters are usually determined from measurements covering the characteristic frequencies of the piezoelectric transducer. This article introduces an analytical technique for calculating the mechanical and electrical equivalent system parameters and characteristic frequencies based on material properties and geom

Background: Hypothyroidism is the most prevalent thyroid disorders worldwide.  Hypothyroidism manifestations are wide spectrum, affecting various systems in human body including the nervous system. Hypothyroidism can cause neuropsychiatric symptoms such as anxiety, depression and diminishing in attention, memory and executive function. Aim: to investigate the level of anxiety and depression in patients with hypothyroidism receiving levothyroxine treatment. Method: a cross-sectional study was conducted at Baghdad Center for Nuclear Medicine and Radiation Therapy from March to June 2022. The study population included patients of both genders, aged 18-65 years, diagnosed with hypothyroidism, were receiving levothyroxine treatment and