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
... Show MoreThat the main feature of the economics many countries in general is a tendency towards defining the role of the public sector in economic activity and the tendency towards encourage the private sector to investment in public projects especially in countries those tendency towards market economy actually.
That increased economic development proven failure in achieving more economic growth both individually in many countries especially developing countries socialist, by researchers this led one way or another to direction of corrective reforms in their economic was one of them in Transformation of public companies into Shareholding companies contributes to the public sector in resources and expertise
... Show MoreThe specific activities of the natural radionuclides U-238 and Th-
232 and K-40 in 14 soil samples collected from different sites from
AL-Mustansiriyah university at two depths (topsoil "surface" and
20cm depth) were be investigated using gamma ray spectrometer
3"x3" NaI(Tl) scintillation detector.
The analysis of the energy spectra of the soil samples show that
these samples have specific activities ranging with (16.08-51.11)
Bq/kg for U-238, (14.79-52.29) Bq/kg for Th-232 and (191.08-
377.64) Bq/kg for K-40, with an average values of 29.37, 34.14 and
289.62 Bq/kg for U-238, Th-232, k-40 respectively. The radiation
hazard parameters of the natural radionuclides; radium equivalent
activity (Raeq), gamma a
The soap content in biodiesel is an important challenge during the production and purification processing of biodiesel. Natural deep eutectic solvents (NADES) have recently attracted considerable interest as an environmentally suitable substitute for traditional solvents in the biodiesel industry. This work investigates the soap removal from the contaminated biodiesel using NADES. Eight choline chloride‐based deep eutectic solvents (DESs) were screened using the conductor‐like screening model for real solvents (COSMO‐RS) to identify the most suitable solvent for soap removal and were validated experimentally. The effect of NADES molar ratio, NADES:biodiesel ratio, mixing speed and extraction ti
This study aimed at examining the role played by the media outlets during the coverage
of the presidential election campaigns 2020 of the United States of America.
The analytical study used through a partial inventory of the research community
for almost three months from the announcement of the candidates’ names by
the major parties on August 13 to November 6، which is the official election day in
the U.S. National Public Radio Station (NPR) to achieve the objectives of the study.
The study reached a number of conclusions related to the contents، methods and
sources of media coverage of the election campaigns of the 2020 U.S. at the mentioned
station، where the researcher proposed a number of recommendations
Will address this research interaction and coordination between fiscal and monetary policies and the impact of this interaction and coordination on economic stability and growth، and how the financial implications of monetary policy may stimulate action monetary policy and treatment side effects and the nature of responsiveness and bounce between procedures both two policies and their impact on the balance of overall economic and explained in the folds of searchjustifications coordination and the extent necessary in order to address the imbalances in economic activity through twinning actions of monetary and fiscal، has embodied this coordination and interaction between policies and their impact m
... Show MoreThis study aims at identifying the extent of SMS usage and understanding the role it plays in satisfying users' needs and motivations. In order to achieve this aim, an analytical descriptive method was adopted by conducting a field survey among students at Petra University.
The study resulted in many conclusions, the most important of which is that using SMS meets the students' cognitive, social and communicational needs and desires, the highest being communicating with friends at 75%, followed by exchanging songs and videos at 52%, as well as exchanging photos at 45%. In regards to their motivation for using text messaging, forgetting daily problems scored highest at 81.4% and spending free time followed at 77.4%. This proves th
... Show MoreCopper (Cu) is an essential trace element for the efficient functioning of living organisms. Cu can enter the body in different ways, and when it surpasses the range of biological tolerance, it can have negative consequences. The use of different nanoparticles, especially metal oxide nanoparticles, is increasingly being expanded in the fields of industry and biomedical materials. However, the impact of these nanoparticles on human health is still not completely elucidated. This comparative study was conducted to evaluate the impacts of copper oxide nanoparticles (CuO NPs) and copper sulphate (CuSO4 0.5 (H2O)) on infertility and reproductive function in male albino mice BALB/c. Body weight, the weight of male reproductive organs, mal
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