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Now showing items 5454-5473 of 48216
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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 ... -
Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical
( Nature Publishing Group , 2019 , Article)In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical was introduced. Potential-energy surface for various channels ... -
Computational study on oxynitride perovskites for CO2 photoreduction
( Elsevier Ltd. , 2016 , Article)The photocatalytic conversion of CO2 into chemical fuels is an attractive route for recycling this greenhouse gas. However, the large scale application of such approach is limited by the low selectivity and activity of the ... -
Computational study on the mechanism of the photouncaging reaction of vemurafenib: Toward an enhanced photoprotection approach for photosensitive drugs
( Multidisciplinary Digital Publishing Institute (MDPI) , 2021 , Article)The photochemical behavior of the photosensitive first-line anticancer drug vemurafenib (VFB) is of great interest due to the impact of such behavior on its pharmacological activity. In this work, we computationally ... -
Computational study on the nanotubes formation between olsalazine and β-cyclodextrin
( Avestia Publishing , 2017 , Conference Paper)Interests in cyclodextrin-derived nano-assembled supramolecular systems have recently grown notably [1,2]. Cyclodextrins are a family of oligosaccharides that possess very characteristic features of conical shape with ... -
Computational thermodynamic analysis of a solar thermochemical manganese oxide - Manganese sulfate water splitting cycle
( AIChE , 2016 , Conference Paper)In this paper computational thermodynamics modeling of the solar H2 production via twostep thermochemical manganese oxide - manganese sulfate (MnO-MnS) water splitting cycle is reported. In this cycle, the first step ... -
Computational thermodynamic analysis of solar fuel production via metal oxide based H2O and CO2 splitting thermochemical cycles
( AIChE , 2015 , Conference Paper)In this paper thermodynamic feasibility of the production of solar fuel via SnO2/SnO based thermochemical CO2 splitting redox reactions was investigated. The first step is the thermal dissociation of SnO2 into SnO where ... -
Computationally efficient environmental monitoring with electronic nose: A potential technology for ambient assisted living
( Institute of Electrical and Electronics Engineers Inc. , 2016 , Conference Paper)Recently, ambient assisted living technologies have emerged to improve the quality of life of ageing populations. Identification of health-endangering indoor gases with a hardware-friendly solution may provide an early ...
