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

In this research, the effect of each of the concentrations ( Nd⁺³) was studied (N) the thickness of the thin disk (d) the number of times that the pumping beam passes through the effective medium of this laser (M_p) the reflectivity of the laser output mirror (R ₂₎ The losses of the effective medium (L) and the pumping power used in achieving the reverse qualification (P_P) on each of the pumping threshold capacities (P_p.th) and the output power of the laser (P_out) and the efficiency (ŋ) in Nd³⁺ thin-disk lasers (TDLs) pumping quasi-three-level With continuous operation (cw), at room temperature, and in the Gaussian mode (TEM00),

We found under these opera

     The electrical resistivity method is one of the geophysical methods for detecting weak subsurface zone. The 2D resistivity data were used to compare three electrode configurations, Wenner, Dipole-dipole, and Schlumberger, to detect weak subsurface zones along a profile south of Baghdad near the Bismayah pumping station. The results show many zones of low resistivity that may be weak zones. A dipole-dipole array is a large number of measurements and is more sensitive than others. The Wenner-Schlumberger array has a depth also higher than other arrays. Wenner array has higher signal strength than other arrays. Because it is more sensitive to horizontal and vertical structures, the dipole-dipole array is the optimum for mapping sub

This research aimed to diagnose the perception based on Telecommunications of Iraq to the importance of activating knowledge management marketing in possession, as well as Indication of impediments to activate the management of marketing knowledge in the researched companies, also aimed to show the extent of the existence of significant differences in perception based on Telecommunications Iraqi importance of activating the management marketing knowledge in possession. To achieve the objectives of this research, the questionnaire was developed and distributed to a sample of telecommunications companies in the city of Sulaimaniya, was selected on the criterion according to the company's life in terms of seniority in the telecommunication

         Vocational education is the basis of contemporary educational movement that aims at satisfying human needs. Societies can develop their human resources via setting programs for the working class as an aspect of the comprehensive national development. Vocational education is the main source of technical cadres the Iraqi labor market requires of the vocational preparatory schools to provide after three years of schooling.

        The vocational schools of the governorate of Basra have a number of problems that lead to the lack of proficiency of their graduates. This study is an attempt to identify these problems or obstacles

The toxicological risks and lifetime cancer risks associated with exposure to disinfection by-products (DBPs) including Halloacetic acids (HAAs) and trihalomethanes (THMs) compounds by drinking water in several districts in Wassit Province were estimated. The seasonal variation of HAAs and THMs compounds in drinking water have indicated that the mean values for total HAAs (THAAs) and total THMs (TTHMs) ranged from 43.2 to 72.4 mg/l and from 40 to 115.5 mg/l, respectively. The World health organization index for additive toxicity approach was non-compliant with the WHO guideline value in summer and autumn seasons and this means that THMs concentration has adverse toxic health effects. The multi-pathway of lifetime hu

كان المؤتمر الآسيوي الأفريقي الأول الذي عُقد في مدينة باندونغ الاندونيسية عام 1955 هو المؤتمر هو الأول الذي اجتمعت فيه الدول الآسيوية والأفريقية بعد الحرب العالمية الثانية. كان مؤتمر باندونغ بمثابة نقطة الانطلاق نحو تأسيس حركة عدم الانحياز، والتي كانت مصر أحد أبرز أقطابها. شهد المؤتمر تقاربا في الآراء ووجهات النظر بين جمهورية مصر العربية وجمهورية الصين الشعبية، لا سيّما وإن الحكومة المصرية كانت قد تبنت س

The objective of the research is to identify the efficiency of risk management in various names at Baghdad International Airport in the face of various risks (financial - technical - human - natural ..) facing the sample of the search of the General Establishment of Civil Aviation and the Iraqi Airways Company where the researcher identified the hypothesis that summarizes There is a significant significant correlation between risk management, risk management and risk review and assessment. The researcher used the means of research from observation and interviews with the relevant officials in this field, as well as used the questionnaire and distributed a sample of 170 employees in the field of risk management (SMS Department) in Iraqi A

         In this study  new  derivatives  of  Schiff bases 5-8 , 1,3- oxazepine  9-16 and tetrazoles 17-19 have  been synthesized from the new starting  material 1 which has  synthesized  the reaction of  one mole of dichloro acetic acid and two moles of  thiophenol , the esters  2-3 were synthesized from the reaction of  compound 1 with methanol or ethanol respectively  in the presence of  H₂SO₄  as  catalyst  then 2,2-dithiophenylaceto Hydrazide  4 were synthesized from the reaction of  2 or 3 with hydrazine hydrate  80 % , Schiff bases 5-8 were  synthesized from the