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 MoreThe development issue is considered as one of the most important matters of concern to governments, intellectuals and specialists in the contemporary world, especially in developing countries that are trying hard to move out of the afflicting underdevelopment domain to a brighter future and achieve the aspirations of those countries through organized planning which take advantage of available resources, whether material or humanitarian, in the best way possible.
The development process are taking place at multiple levels ranging from national to regional to local where the community is stimulated and excited for the cooperation, participation and preparation to perform planned change in the methods of thinking, acting and production.<
Despite the history of Baghdad city extends into a long history, most of the contemporary buildings of Baghdad have been shaped in the era of modernity. Furthermore, most of the buildings of modernity in Baghdad are types of modernity buildings in Iraq as a whole, and due to all the joints of change and development are taking place in Iraq starts from Baghdad. Accordingly, all selected buildings, which would be presented as case studies of modernity will be exclusively in Baghdad. Although the importance of this significant modernist product, which represents the identity of Baghdad, which should be preserved by the renewal and preservation policies, the problem of research was emerged as follow: new fin
... Show MoreThe study includes the epipelic algae in Hemren reservoir, for the period between Januarys to October 2000 .The samples were collected from three selected sites at north, middle and south of reservoir. A total of 96 taxa of epipelic algae were identified. The diatoms were the dominated by 82 taxa represented 85.4% of the total identified species, followed by blue-green algae (cyanophyta) of 6.3 taxa (6%), and then green algae (chlorophyta) of 5.2 taxa (5%). One species was recorded for each crysophyta, euglenophyta and pyrrophyta. The seasonal variation for the cell density showed two peaks during spring and autumn seasons. Few species were dominated during the most studied period such as Achnanthes minutissima, Navicula cryptocephala
... Show MoreThere Are Many Communities Suffering Of Unemployment Due To Has Great Social And Economic Impact, As Well As The Psychological Effects Devastating And Serious And That May Threaten States With Collapse And Leading Human Displacement And Loss And Crime, And Often Derive Unemployed People To Practice Bad Habits Such As Gambling, Alcohol And Drug Abuse To Escape From Their Reality To Their Concerns And Problems.
It Should Be Noted, That The Largest Percentage Of Unemployment In Developing Societies Represented By The Educated Class Of University Graduates, And This Is Something Painful.
The Unemployed Know That (Each Capable Of Working And Who Want To Look For And Accept Prevailing Bricks) Is Th
... Show More1- That the Jewish minority, was considered one of Iraq`s 1864-1952 main religious minorities ,and has the therights by the Iraqi constitution approved by the Iraqi peopel in addition to the items all ocated py the minorities includiny the Jewish minority .He also bledged formaly before the Nations council to get its independence and to respect the rights of minorities . 2- The Jews who have completed primary education in Jweish and government schools Increased the number so that it seemed that the percentage of illiterate males was zero and the female was not high and as aresult of the increasing number of primary school graduates, so it was need to open addition secondary schools, also increased the number of high school graduates from
... Show MoreIn this paper the new starting material 2-(5-chloro-1H-benzo[d]imidazole-2-yl) aniline (1) was synthesized by the condensation reaction of 4-chloro-o-phenylenediamine and anthranilic acid .The new Mannich base derivatives were synthesized using formaldehyde and different secondary amines to synthesize a new set of benzimidazole derivatives(2-5). Also, the new Schiff-base derivatives (6-10) were synthesized from the reaction of compound (1) with various aromatic aldehydes and the closure-ring was done successfully using mercapto acetic acid to get the new thiazolidine derivatives(11-12).These new compounds were characterized using some physical techniques like:FT-IR Spectra and 1HNMR Spectra.
Nanocrystalline copper sulphide (Cu2-xS) powders were synthesized by chemical precipitation from their aqueous solutions composed of different molar ratio of copper sulfate dehydrate (CuSO4.5H2O) and thiorea (NH2)2CS as source of Cu+2, S-2 ions respectively, and sodium ethylene diamine tetra acetic acid dehydrate (EDTA) as a complex agent. The compositions, morphological and structural properties of the nanopowders were characterized by energy dispersive spectroscopy (EDS), scanning electron microscope (SEM), and X-ray diffraction (XRD), respectively. The compositional results showed that the copper content was high and the Sulfur content was low for both CuS and Cu2S nanopowders. SEM images shows that all products consist of aggregate o
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