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MOLECULAR MODELLING AND THEORETICAL DESIGN OF NOVEL NIRMATRELVIR DERIVATIVES AS SARS-COV-2 ENTRY INHIBITORS
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The pandemic SARS-CoV-2 is highly transmittable with its proliferation among nations. This study aims to design and exploring the efficacy of novel nirmatrelvir derivatives as SARS entry inhibitors by adapting a molecular modeling approach combined with theoretical design. The study focuses on the preparation of these derivatives and understanding their effectiveness, with a special focus on their binding affinity to the S protein, which is pivotal for the virus’s access to the host cell. Considering molecular docking aspects in the scope of a study on nirmatrelvir derivatives and S protein, dynamics simulations with 25 nanoseconds of their binding are explored. The study shows that these derivatives might work as effective antivirals against SARS-CoV-2 and that these findings should be followed by further preclinical and clinical trials to determine the safety, usefulness and feasibility of the compounds.

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Publication Date
Fri Sep 15 2023
Journal Name
Al-academy
The effectiveness of change and transformation of formal displacement in the internal space (historical passenger stations as a model)
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Intellectual and material displacement is one of the design strategies through many mechanisms and means, and depends on the idea of changing the shape within the internal spaces at times and has concepts related to the transformation at other times. And represented by the boxes for travelers, the research problem emerged through the following question: (What is the effectiveness of displacement in the formal structures in the interior design of historical sites), and the aim of the study is to reveal the reality of the use of historical internal spaces and to determine the formal displacement that occurs as a result of change and transformation, and it included two topics, the first topic Transformation and the effectiveness of formal d

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Publication Date
Wed Jun 01 2022
Journal Name
Heliyon
Modification of SBA-15 mesoporous silica as an active heterogeneous catalyst for the hydroisomerization and hydrocracking of n-heptane
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Publication Date
Thu Mar 01 2018
Journal Name
Journal Of Engineering And Sustainable Development
MEASURING THE URBAN INTEGRAL SUSTAINABILITY IN “MUSTANSIRIYA UNIVERSITY “ACCORDING TO THE INTEGRAL DESIGN THEORY
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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
An algorithm for binary codebook design based on the average bitmap replacement error (ABPRE)
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In this paper, an algorithm for binary codebook design has been used in vector quantization technique, which is used to improve the acceptability of the absolute moment block truncation coding (AMBTC) method. Vector quantization (VQ) method is used to compress the bitmap (the output proposed from the first method (AMBTC)). In this paper, the binary codebook can be engender for many images depending on randomly chosen to the code vectors from a set of binary images vectors, and this codebook is then used to compress all bitmaps of these images. The chosen of the bitmap of image in order to compress it by using this codebook based on the criterion of the average bitmap replacement error (ABPRE). This paper is suitable to reduce bit rates

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Publication Date
Fri Dec 31 2021
Journal Name
International Journal Of Intelligent Engineering And Systems
Airborne Computer System Based Collision-Free Flight Path Finding Strategy Design for Drone Model
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Publication Date
Tue Sep 15 2020
Journal Name
Al-academy
Visual Variables in Exterior Advertisements Design Structure: أكرم جرجيس نعمة -عبد الله جاسم غريب
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  What makes the commercial advertisement distinct is the design structure which is built according to artistic and creative concepts and terms based on the visual and formal interdependence relationships to express the motives of the advertising idea, which is based in its action mechanism on the effective variables, some of which are related to the marketing aspect, and others related to the advertisement aspect. The major aspect is the functional and aesthetic variables, which are represented by the vocabulary of the advertisement area for the open spaces such as the street ads. Its promotional dimension is the active forces in the circulation of commodities and products. Therefore, there would be significant problems the designe

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Publication Date
Tue Dec 01 2020
Journal Name
Al-khwarizmi Engineering Journal
Applying Trade-off Curve to Support Set-Based Design application at an Aerospace Company
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Companies compete greatly with each other today, so they need to focus on innovation to develop their products and make them competitive. Lean product development is the ideal way to develop product, foster innovation, maximize value, and reduce time. Set-Based Concurrent Engineering (SBCE) is an approved lean product improvement mechanism that builds on the creation of a number of alternative designs at the subsystem level. These designs are simultaneously improved and tested, and the weaker choices are removed gradually until the optimum solution is reached finally. SBCE implementations have been extensively performed in the automotive industry and there are a few case studies in the aerospace industry. This research describe the use o

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Publication Date
Mon Dec 18 2017
Journal Name
Al-khwarizmi Engineering Journal
High Order Sliding Mode Observer-Based Output Feedback Controller Design For Electro-Hydraulic System
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A perturbed linear system with property of strong observability ensures that there is a sliding mode observer to estimate the unknown form inputs together with states estimation. In the case of the electro-hydraulic system with piston position measured output, the above property is not met. In this paper, the output and its derivatives estimation were used to build a dynamic structure that satisfy the condition of strongly observable. A high order sliding mode observer (HOSMO) was used to estimate both the resulting unknown perturbation term and the output derivatives. Thereafter with one signal from the whole system (piton position), the piston position make tracking to desire one with a simple linear output feedback controller after ca

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Publication Date
Mon Mar 15 2021
Journal Name
Al-academy
Design Technologies in Promoting the Advertisement for National Product: وسام عبد الامير كريم المالكي
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The current research is concerned with studying the variables in the promotion process which influence the advertisement design structure, as the accomplished design and construction process is subject to many variables, whether they were intellectual or technological, internal or external variables. These variables may overlap in order to get a comprehensive system for the artistic configuration, that any design in its content reaches the highest levels of perfection is connected to the extent of its compliance with and approximation to these variables, that is why we find their reflections deeply rooted in the individual's mind, especially the designer artist who is influenced by everything surrounding him forming knowledge systems res

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Publication Date
Fri Jul 19 2024
Journal Name
An International Journal Of Optimization And Control: Theories & Applications (ijocta)
Design optimal neural network based on new LM training algorithm for solving 3D - PDEs
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In this article, we design an optimal neural network based on new LM training algorithm. The traditional algorithm of LM required high memory, storage and computational overhead because of it required the updated of Hessian approximations in each iteration. The suggested design implemented to converts the original problem into a minimization problem using feed forward type to solve non-linear 3D - PDEs. Also, optimal design is obtained by computing the parameters of learning with highly precise. Examples are provided to portray the efficiency and applicability of this technique. Comparisons with other designs are also conducted to demonstrate the accuracy of the proposed design.

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