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Now showing items 5574-5593 of 49668
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Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
( Springer Nature , 2020 , Article)The heterogeneous metal-based molecular electrocatalyst can typically exhibit attractive features compared to its homogeneous analogue including recoverability and durability. As such, it is necessary to evaluate the ... -
Computational investigation of mechanistic insights of Aβ42 interactions against extracellular domain of nAChRα7 in Alzheimer's disease
( Taylor and Francis Ltd , 2019 , Article)Aim: Amyloid beta (Aβ) 1-42, which is a basic constituent of amyloid plaques, binds with extracellular transmembrane receptor nicotine acetylcholine receptor α7 (nAChRα7) in Alzheimer’s disease. Materials and Methods: ... -
Computational Investigation of the Effect of Wall Thickness on Rupture Risk in Abdominal Aortic Aneurysms
( JAFM , 2020 , Article)Cardiovascular disorders are among the most important causes of sudden death and adult disability worldwide. Abdominal aortic aneurysm (AAA) is a critical clinical condition where the aorta dilates beyond 50% of its normal ... -
Computational investigation of wall shear stress patterns on calcified aortic valve leaflets
( Qatar University Press , 2020 , Poster)Background: Aortic valve diseases affect about 25% of the population over 65 years of age. Aortic valve separates the left ventricle from the aorta, and consists of three half-moon shaped leaflets. The leaflets are highly ... -
A computational method to characterize the missense mutations in the catalytic domain of GAA protein causing Pompe disease.
( Wiley , 2019 , Article)Pompe disease is an autosomal recessive lysosomal storage disease caused by acid α-glucosidase (GAA) deficiency, resulting in intralysosomal accumulation of glycogen, including cardiac, skeletal, and smooth muscle cells. ... -
Computational methods for automated analysis of corneal nerve images: Lessons learned from retinal fundus image analysis
( Elsevier , 2020 , Article Review)Corneal and retinal imaging provide a descriptive view of the nerve and vessel structure present inside the human eye, in a non-invasive manner. This helps in ocular, or other, disease identification and diagnosis. However, ... -
Computational model to analyze and characterize the functional mutations of NOD2 protein causing inflammatory disorder - Blau syndrome.
( Elsevier , 2020 , Article)Blau syndrome (BS), which affects the eyes, skin, and joints, is an autosomal dominant genetic inflammatory disorder. BS is caused by mutations in the NOD2 gene. However, there are no direct treatments, and treatment with ... -
A computational model to predict the structural and functional consequences of missense mutations in O6-methylguanine DNA methyltransferase
( Elsevier , 2019 , Article)DNA repair mechanism is a process through which the cell repairs its damaged DNA. Although there are several mechanisms involved in the DNA repair mechanisms, the direct reversal method is the simplest and does not require ... -
Computational modeling and forensic analysis for terrorist airplane bombing: A case study
( Elsevier Ltd , 2019 , Article)The bombing of airliners has been a tactic used by terrorists during the past 40 years. Its prevention is a major priority by homeland security officials on a worldwide basis. In efforts to aid in the investigation of such ... -
Computational Modeling of Blood Flow Hemodynamics for Biomechanical Investigation of Cardiac Development and Disease.
( MDPI , 2021 , Article)The heart is the first functional organ in a developing embryo. Cardiac development continues throughout developmental stages while the heart goes through a serious of drastic morphological changes. Previous animal experiments ... -
Computational modeling of motile cilia generated cerebral flow dynamics in zebrafish embryo
( Qatar University Press , 2020 , Poster)Background: Motile cilia are hair-like microscopic structures which move the fluids along the epithelial surfaces. Cilia cover a wide range of regions in the nervous system, such as the nasal cavity, spinal cord central ... -
Computational Modeling of Motile Cilia-Driven Cerebrospinal Flow in the Brain Ventricles of Zebrafish Embryo.
( MDPI , 2022 , Article)Motile cilia are hair-like microscopic structures which generate directional flow to provide fluid transport in various biological processes. Ciliary beating is one of the sources of cerebrospinal flow (CSF) in brain ... -
Computational modelling approaches as a potential platform to understand the molecular genetics association between Parkinson's and Gaucher diseases.
( Springer , 2018 , Article)Gaucher's disease (GD) is a genetic disorder in which glucocerebroside accumulates in cells and specific organs. It is broadly classified into type I, type II and type III. Patients with GD are at high risk of Parkinson's ... -
Computational molecular perspectives on the interaction of propranolol with ?-cyclodextrin in solution: Towards the drug-receptor mechanism of interaction
( Elsevier B.V. , 2017 , Article)Elucidating the mechanism of interaction between a drug molecule and its corresponding receptors is of great importance. It had been demonstrated that Propranolol as a β-blocker interacts with β-adrenoreceptors through ... -
A computational overview on phylogenetic characterization, pathogenic mutations, and drug targets for Ebola virus disease
( Elsevier , 2021 , Article)The World Health Organization declared Ebola virus disease(EVD) as the major outbreak in the 20th century. EVD was firstidentified in 1976 in South Sudan and the Democratic Republicof the Congo. EVD was transmitted from ... -
Computational screening of known broad-spectrum antiviral small organic molecules for potential influenza HA stem inhibitors.
( Public Library of Science , 2018 , Article)With the emergence of new influenza virus strains that are resistant to current inhibitors such as oseltamivir (anti-neuraminidase (NA)) and amantadine (anti-M2 proton channel), influenza A viruses continue to be a serious ... -
Computational Screening of Potential Inhibitors of Desulfobacter postgatei for Pyrite Scale Prevention in Oil and Gas Wells
( American Chemical Society , 2021 , Article)Sulfate-reducing bacteria (SRB), such as Desulfobacter postgatei are found in oil wells. However, they lead to the release of hydrogen sulfide. This in turn leads to the iron sulfide scale formation (pyrite). ATP sulfurylase ... -
Computational Simulation Of Organic Rankine Cycle Retrofitted To Petroleum Well
( Hamad bin Khalifa University Press (HBKU Press) , 2014 , Conference Paper)Geothermal refers to existing heat energy in deep rock and sedimentary basins. Unlike other types of renewable energy resources, geothermal energy provides a stable source of energy as it can be exploited regardless of ... -
Computational structural assessment of BReast CAncer type 1 susceptibility protein (BRCA1) and BRCA1-Associated Ring Domain protein 1 (BARD1) mutations on the protein-protein interface
( Elsevier , 2022 , Book chapter)Breast cancer type 1 susceptibility protein (BRCA1) is closely related to the BRCA2 (breast cancer type 2 susceptibility protein) and BARD1 (BRCA1-associated RING domain-1) proteins. The homodimers were formed through their ... -
Computational studies for the effective electrical conductivity of copper powder filled LDPE/LLDPE composites
( National Institute of Science Communication and Information Resources , 2020 , Article)The effective electrical conductivity (EEC) of low density polyethylene (LDPE) and linear low density polyethylene (LLDPE) polymer composites filled with copper has been studied. The nonlinear behavior has been observed ...