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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
Fri Jan 01 2021
Journal Name
Journal Of Engineering
A Proposed Adaptive Bitrate Scheme Based on Bandwidth Prediction Algorithm for Smoothly Video Streaming
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A robust video-bitrate adaptive scheme at client-aspect plays a significant role in keeping a good quality of video streaming technology experience. Video quality affects the amount of time the video has turned off playing due to the unfilled buffer state. Therefore to maintain a video streaming continuously with smooth bandwidth fluctuation, a video buffer structure based on adapting the video bitrate is considered in this work. Initially, the video buffer structure is formulated as an optimal control-theoretic problem that combines both video bitrate and video buffer feedback signals. While protecting the video buffer occupancy from exceeding the limited operating level can provide continuous video str

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Publication Date
Sat Mar 01 2025
Journal Name
Acta Marisiensis - Seria Medica
Transcatheter balloon valvuloplasty for children with severe pulmonary valve stenosis: A single-center experience
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Abstract<p> <bold>Objectives</bold>: this study aim to assess the effectiveness of the Transcatheter balloon valvoplasty (BVP) of severe Pulmonary stenosis (PS) and identify possible complications and predictors for the outcome.</p><p> <bold>Methods</bold>: A retrospective study was conducted at the Iraqi Center of Cardiac Diseases for a 2-year duration in the period from 2021 to the end of 2023; the patients with confirmed severe PS of both genders within the age equal to or less than 18 years were included. For every patient included in the present study, the following data were collected: Demographic data, Echoc</p> ... Show More
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Publication Date
Mon Jan 01 2024
Journal Name
Fifth International Conference On Applied Sciences: Icas2023
A modified Mobilenetv2 architecture for fire detection systems in open areas by deep learning
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This research describes a new model inspired by Mobilenetv2 that was trained on a very diverse dataset. The goal is to enable fire detection in open areas to replace physical sensor-based fire detectors and reduce false alarms of fires, to achieve the lowest losses in open areas via deep learning. A diverse fire dataset was created that combines images and videos from several sources. In addition, another self-made data set was taken from the farms of the holy shrine of Al-Hussainiya in the city of Karbala. After that, the model was trained with the collected dataset. The test accuracy of the fire dataset that was trained with the new model reached 98.87%.

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Publication Date
Thu Dec 01 2016
Journal Name
Journal Of Engineering
A Hybrid Coefficient Decimation- Interpolation Based Reconfigurable Low Complexity Filter Bank for Cognitive Radio
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Non uniform channelization is a crucial task in cognitive radio receivers for obtaining separate channels from the digitized wideband input signal at different intervals of time. The two main requirements in the channelizer are reconfigurability and low complexity. In this paper, a reconfigurable architecture based on a combination of Improved Coefficient Decimation Method (ICDM) and Coefficient Interpolation Method (CIM) is proposed. The proposed Hybrid Coefficient Decimation-Interpolation Method (HCDIM) based filter bank (FB) is able to realize the same number of channels realized using (ICDM) but with a maximum decimation factor divided by the interpolation factor (L), which leads to less deterioration in stop band at

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Publication Date
Wed Jan 01 2020
Journal Name
International Journal Of Internet Protocol Technology
A low cost paging scheme for clustered PMIPv6 protocol by head-MAG entity utilisation
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Publication Date
Sun Aug 01 2021
Journal Name
Bulletin Of Electrical Engineering And Informatics
A critical success factors for software project manager in GVTs within covid-19 pandemic
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The covid-19 pandemic sweeping the world and has rendered a large proportion of the workforce as they are unable to commute to work. This has resulted in employees and employers seeking alternative work arrangements, including the software industry. Then comes the need for the global market and international presence of many companies to implement the global virtual teams (GVTs). GVTs members are gradually engaged in globalized business environments across space, time and organizational boundaries via information and communication technologies. Despite the advancement of technology, the project managers are still facing many challenges in communication. Hense, to become a successful project manager still a big challenge for them. This study

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Publication Date
Thu Oct 09 2025
Journal Name
Sn Comprehensive Clinical Medicine
A New Pharmacological Direction in Sleep Medicine: Tirzepatide’s FDA Approval for Obstructive Sleep Apnea
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In addition to being a novel medication in treating obesity and type 2 diabetes mellitus, tirzepatide is currently being studied to assess its effectiveness and safety on various health parameters, specifically with an emphasis on the neurological field, including sleep medicine and neurodegenerative conditions. In this perspective, we highlight the recent FDA approval of tirzepatide’s use for the treatment of obstructive sleep apnea, with recommendations for future research to extend use in children and adolescents.

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Publication Date
Mon Aug 01 2022
Journal Name
Journal Of Structural Engineering
Standard Pushout Tests and Design Rules for a Bolted–Welded Hybrid Demountable Shear Connector
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A bolted–welded hybrid demountable shear connector for use in deconstructable steel–concrete composite buildings and bridges was proposed. The hybrid connector consisted of a partially threaded stud, which was welded on the flange of a steel section, and a machined steel tube with compatible geometry, which was bolted on the stud. Four standard pushout tests according to Eurocode 4 were carried out to assess the shear performance of the hybrid connector. The experimental results show that the initial stiffness, shear resistance, and slip capacity of the proposed connector were higher than those of traditional welded studs. The hybrid connector was a ductile connector, according to Eurocode 4, with slip capacity higher than 6 mm. A nonli

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Publication Date
Fri Jan 12 2024
Journal Name
Medaad
Bridging Traditional and Immersive Technologies in Design Education: A Comprehensive Framework for Institutional Adoption
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The significant addition of immersive technologies, Virtual Reality (VR), Augmented Reality(AR) and Mixed Reality(MR) are transforming the domain of design education. Still, finding an equilibrium between these new tools alongside with traditional methods of teaching is a menace which educational institutes needs to solve. This paper proposes a structure that would help the ease with which to include immersive technologies within design education, keeping in mind the solid points of more conventional pedagogical methods. Based on a survey of interior design programs, this research highlights the potential for VR, AR and MR in student engagement, creativity skills and professional practices. The results suggest that adoption of an im

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Publication Date
Tue Dec 01 2020
Journal Name
Baghdad Science Journal
Emergency Messages Dissemination Challenges Through Connected Vehicles for Efficient Intelligent Transportation Systems: A Review
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Recent growth in transport and wireless communication technologies has aided the evolution of Intelligent Transportation Systems (ITS). The ITS is based on different types of transportation modes like road, rail, ocean and aviation. Vehicular ad hoc network (VANET) is a technology that considers moving vehicles as nodes in a network to create a wireless communication network. VANET has emerged as a resourceful approach to enhance the road safety. Road safety has become a critical issue in recent years. Emergency incidents such as accidents, heavy traffic and road damages are the main causes of the inefficiency of the traffic flow. These occurrences do not only create the congestion on the road but also increase the fuel consumption and p

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