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bijps-1604
A Comparative Study for the Accuracy of Three Molecular Docking Programs Using HIV-1 Protease Inhibitors as a Model
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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 enzyme. The tested sets are composed of eight receptor-ligand complexes with high resolution crystal structures downloaded from Protein Data Bank website. Molecular dockings were applied between approved HIV-1 protease inhibitors and the HIV-1 protease using AutoDock Vina, 1-Click Docking, and DOCK6. Then, docking poses of the top-ranked solution was realized using UCSF Chimera. Furthermore, Pearson correlation coefficient (r) and coefficient of determination (r2) between the experimental results and the top scored docking results of each program were calculated using Graphpad prism V9.2. After comparing saquinavir top scored binding poses of each docking program with the crystal structure, various conformational changes were observed. Moreover, according to the relative comparison between the top ranked calculated ?Gbinding values against the experimental results, r2 value of AutoDock Vina, 1-Click Docking, and DOCK6 were 0.65, 0.41, and 0.005, respectively. The outcome of this study shows that the top scored binding free energy could not produce the best pose prediction. In addition, AutoDock Vina results have the highest correlation with the experimental results.

 

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Publication Date
Tue Nov 01 2016
Journal Name
Journal Of Engineering
Modeling of Comparative Performance of Asphalt Concrete under Hammer, Gyratory, and Roller Compaction
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The main objective of this study is to develop predictive models using SPSS software (version 18) for Marshall Test results of asphalt mixtures compacted by Hammer, Gyratory, and Roller compaction. Bulk density of (2.351) gm/cc, at OAC of (4.7) % was obtained as a benchmark after using Marshall Compactor as laboratory compactive effort with 75-blows. Same density was achieved by Roller and Gyratory Compactors using its mix designed methods.

A total of (75) specimens, for Marshall, Gyratory, and Roller Compactors have been prepared, based on OAC of (4.7) % with an additional asphalt contents of more and less than (0.5) % from the optimum value. All specimens have been subjected to Marshall Test. Mathematical model

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Publication Date
Tue Jan 01 2019
Journal Name
Malaysian Journal Of Biochemistry And Molecular Biology
Efficiency of primer design tools in evaluation of two molecular methods to detect two single nucleotide polymorphisms related with atherosclerosis
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Publication Date
Wed Dec 30 2020
Journal Name
Al-kindy College Medical Journal
The Value of Diffusion Weighted MRI in the Detection and Localization of Prostate Cancer among a Sample of Iraqi Patients
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Background: Prostatic adenocarcinoma is the most widely recognized malignancy in men and the second cause of cancer-related mortality encountered in male patients after lung cancer.

Aim of the study:  To assess the diagnostic value of diffusion weighted imaging (DWI) and its quantitative measurement, apparent diffusion coefficient (ADC), in the identification and localization of prostatic cancer compared with T2 weighted image sequence (T2WI).

Type of the study: a prospective analytic study

Patients and methods: forty-one male patients with suspected prostatic cancer were examined by pelvic MRI at the MRI department of the Oncology Teaching Hospital/Medical City in Baghdad

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Publication Date
Tue Feb 04 2025
Journal Name
Microbes And Infectious Diseases
A preclinical evaluation of the response of repairing the DNA of MCF7 breast cancer cells after exposure to probiotic bacteria
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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Effect of soy protein a humidifier in the qualitative characteristics of the Barker factory of beef and chicken meat elderly
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The purpose of this study was to know the effect of adding different percentages of soy protein a humidifier to mix Sarcoma Barker component of the beef mixture Alkhalt added Alber elderly chicken with five ratios were manufacturing Alberkr discs for sensory evaluation

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Publication Date
Tue Oct 01 2019
Journal Name
Biochemical And Cellular Archives
THE EFFECT OF TWIST EXPRESSION ON THE DEVELOPMENT OF CERVICAL CARCINOMA IN A GROUP OF IRAQI WOMEN INFECTED WITH HPV
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Cervical carcinoma represent the second predominant cancer in female and there is a strong correlation between cervical cancer and the infection with high-risk types of HPV and expression the viral oncogenes. EMT is viewed as a vital advance in carcinoma development and ensuing metastasis. To evaluate correlation between the expression of Twist and HPV16 infection in a group of Iraqi patients with cervical carcinoma. A total of forty paraffin blocks included in this study which were divided into 30 sample of cervical cancer infected with HPV16and 10 sample of normal cervical tissues. The samples were subjected to immunohistochemical technique using Anti-Twist2 polyclonal antibody. The obtained data from this study indicate that majority of

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Publication Date
Fri Apr 01 2016
Journal Name
Bulletin Of Mathematics And Statistics Research
GRAPH OF EQUIVALENCE CLASSES OF A COMMUTATIVE IS-ALGEBRA
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Publication Date
Fri Mar 15 2019
Journal Name
Journal Of The College Of Education For Women
Motives of Voluntary Work Among A Sample Of Volunteers
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    This study aims to focus on the Motives behind volunteer work among a sample of volunteers working in civil society organizations and check if there are statistical differences with those variables according to (gender, age,  job, period of volunteer work, and residence. The sample consists of (220 )volunteers,(189) male and(31) female from southern, northern and central governorate .The Volunteer Functions Inventory(VFI)(Clary & et al,1989)was applied, It consisting of(30) items with six fields( Values, Understanding, Social motives, Career, Protective, Enhancement).

The results show that the most common and important motivations are (Values, Understanding, and social motivations), there are differenc

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Publication Date
Thu Jan 01 2026
Journal Name
Aip Conference Proceedings
Homomorphism of cubic bipolar-ideal of a TM-Algebra
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The study of homomorphism and Cartesian product is one of the most important mathematical tools that preserve algebraic structures. In this work, a new definition of the concept of a cubic bipolar-ideal under homomorphism in a TM-algebra is introduced. Some important theorems are presented. The notion of Cartesian product for cubic bipolar-ideals and cubic bipolar T-ideals is studied. Also, several properties of the Cartesian product for cubic bipolar-ideals are investigated. Furthermore, the level subsets of the Cartesian product of two cubic bipolar-ideals are defined.

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Publication Date
Sun Mar 01 2020
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Impact of supervisory control requirements on the financial performance of Islamic banks in Iraq: Case Study: Islamic Cooperation Bank for Investment and Development for the years (2015-2018)
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Given the importance that the Iraqi banking system in general and Islamic banks in particular, there must be effective supervisory oversight of these banks, as supervisory oversight has an essential and effective role in the development and evaluation of the performance of banks, through the application of legal controls and rules. Banking aimed at making sure that its financial centers are safe, protecting depositors' funds, and achieving both monetary and economic stability. This research studied and evaluates the mechanisms and tools used by the Central Bank of Iraq in the supervision and supervision of these banks. Therefore, the research aimed to measure the type and direction of the relationship between the requirements of supervis

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