Search results for "design."

showing 10 items of 5715 documents

Efficient estimation of tuned liquid column damper inerter (TLCDI) parameters for seismic control of base‐isolated structures

2022

This paper presents an enhanced base-isolation (BI) system equipped with a novel passive control device composed of a tuned liquid damper and an inerter (TLCDI). With the aim of reducing the seismic response of BI systems, this contribution focuses on the design of the TLCDI providing analytical solutions for the optimal TLCDI parameters, easily implementable in the design phase. The effectiveness of the proposed approach in terms of seismic response reduction and computational gain is validated by comparison with classical numerical optimization techniques. The control performance of two different base-isolated TLCDI-controlled structures is assessed by employing real-ground motion records…

Computational Theory and MathematicsInerterBase-IsolationTLCDIBuilding and ConstructionTLCDSettore ICAR/08 - Scienza Delle CostruzioniComputer Graphics and Computer-Aided DesignComputer Science ApplicationsCivil and Structural EngineeringComputer-Aided Civil and Infrastructure Engineering
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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

2021

To date, computational approaches have been recognized as a key component in drug design and discovery workflows. Developed to help researchers save time and reduce costs, several computational tools have been developed and implemented in the last twenty years. At present, they are routinely used to identify a therapeutic target, understand ligand–protein and protein–protein interactions, and identify orthosteric and allosteric binding sites, but their primary use remains the identification of hits through ligand-based and structure-based virtual screening and the optimization of lead compounds, followed by the estimation of the binding free energy. The repurposing of an old drug for the tr…

Computational approacheModels Molecularhealth care facilities manpower and servicesChemistry Pharmaceuticaldrug discovery drug design bioinformatics Docking Molecular Dynamics pharmacophore modeling QSAR drug-repurposing SARS-CoV2educationOrganic ChemistryPharmaceutical ScienceComputational BiologyAnalytical Chemistryn/aQD241-441EditorialChemistry (miscellaneous)health services administrationDrug DiscoveryMolecular MedicineHumansThermodynamicsPhysical and Theoretical Chemistryhealth care economics and organizationsMolecules
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Towards a Rational Design of Antibody Catalysts through Computational Chemistry

2004

Computational chemistryChemistryRational designThermodynamicsAntibodies CatalyticOxy-Cope rearrangementGeneral MedicineGeneral ChemistryCatalysisCatalysisAngewandte Chemie International Edition
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Structure‐Activity Relationships of Benzamides and Isoindolines Designed as SARS‐CoV Protease Inhibitors Effective against SARS‐CoV‐2

2020

Abstract Inhibition of coronavirus (CoV)‐encoded papain‐like cysteine proteases (PLpro) represents an attractive strategy to treat infections by these important human pathogens. Herein we report on structure‐activity relationships (SAR) of the noncovalent active‐site directed inhibitor (R)‐5‐amino‐2‐methyl‐N‐(1‐(naphthalen‐1‐yl)ethyl) benzamide (2 b), which is known to bind into the S3 and S4 pockets of the SARS‐CoV PLpro. Moreover, we report the discovery of isoindolines as a new class of potent PLpro inhibitors. The studies also provide a deeper understanding of the binding modes of this inhibitor class. Importantly, the inhibitors were also confirmed to inhibit SARS‐CoV‐2 replication in …

Computational chemistryProteases2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)medicine.medical_treatmentSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)virusesStructure-activity relationshipsCysteine Proteinase InhibitorsIsoindolesCrystallography X-RayVirus Replicationmedicine.disease_causeAntiviral Agents01 natural sciencesBiochemistryDrug designStructure-Activity Relationshipchemistry.chemical_compoundCatalytic DomainChlorocebus aethiopsDrug DiscoverymedicineAnimalsddc:610General Pharmacology Toxicology and PharmaceuticsBenzamideVero CellsCoronavirus 3C ProteasesCoronavirusPharmacologyProteaseMolecular StructureFull PaperSARS-CoV-2010405 organic chemistryOrganic ChemistryFull PapersProtease inhibitors0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistrychemistryBiochemistryBenzamidesddc:540Molecular MedicineProtein BindingCysteine
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Efficient boundary integral-resonant mode expansion method implementation for full-wave analysis of passive devices based on circular waveguides with…

2013

In this study, the efficient full-wave analysis of passive devices composed of circular and arbitrarily-shaped waveguides is considered. For this purpose, the well-known boundary integral-resonant mode expansion (BI RME) method has been properly extended. Circular waveguides are used for resonant mode expansion, whereas the arbitrary contour is defined by any combination of straight, circular and elliptical segments, thus allowing the exact representation of the most widely used geometries. The proposed algorithm extends previous implementations of the BI RME method based on circular waveguides by considering circular and elliptical arcs for defining arbitrary geometries. Similarly, it allo…

Computational complexity theoryDesign Methodologybusiness.industryNumerical analysisMathematical analysisPerturbation (astronomy)FiltersClassification of discontinuitiesFull wave analysisCircular waveguideWaveguide (optics)OpticsDiscontinuitiesTEORIA DE LA SEÑAL Y COMUNICACIONESBoundary integral methodCADElectrical and Electronic EngineeringbusinessMathematics
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Numerical methods in the design process of a sailing yacht

2014

Computational fluid dynamics conceptual design numerical methods optimization sailing yachtSettore ING-IND/15 - Disegno E Metodi Dell'Ingegneria Industriale
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Serious Games for Health and Safety Training

2011

EUROSTAT figures show that 5720 people die in the European Union every year as a consequence of work-related accidents. Training in Health and Safety is indeed a key aspect to reduce this figure, and serious games constitute an effective method to provide this training. However, the development of this type of computer applications is a complex issue, requiring cross discipline knowledge on different areas, including instructional design, psychology, sociology, law, and computer graphics. Beyond the challenges already present in the development of non-educational computer games, serious games for health and safety are instructional tools. Therefore, they require an instructional design to c…

Computer ApplicationsInstructional designmedia_common.quotation_subjectContext (language use)Occupational safety and healthEntertainmentRisk analysis (engineering)media_common.cataloged_instanceEuropean unionPsychologyGames for HealthSimulationSeriousnessmedia_common
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A Random Trajectory Approach for the Development of Nonstationary Channel Models Capturing Different Scales of Fading

2017

This paper introduces a new approach to developing stochastic nonstationary channel models, the randomness of which originates from a random trajectory of the mobile station (MS) rather than from the scattering area. The new approach is employed by utilizing a random trajectory model based on the primitives of Brownian fields (BFs), whereas the position of scatterers can be generated from an arbitrarily 2-D distribution function. The employed trajectory model generates random paths along which the MS travels from a given starting point to a fixed predefined destination point. To capture the path loss, the gain of each multipath component is modeled by a negative power law applied to the tra…

Computer Networks and CommunicationsComputer scienceAerospace Engineering020302 automobile design & engineering020206 networking & telecommunications02 engineering and technologysymbols.namesakeFading distribution0203 mechanical engineeringChannel state informationAutomotive Engineering0202 electrical engineering electronic engineering information engineeringElectronic engineeringTrajectorysymbolsPath lossFadingStatistical physicsElectrical and Electronic EngineeringPower delay profileGaussian processRandomnessComputer Science::Information Theory
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Throughput and delay analysis of HARQ with code combining over double Rayleigh fading channels

2018

This paper proposes the use of hybrid automatic repeat request (HARQ) with code combining (HARQ-CC) to offer reliable communications over double Rayleigh channels. The double Rayleigh fading channel is of particular interest to vehicleto-vehicle communication systems as well as amplify-and-forward relaying and keyhole channels. This paper studies the performance of HARQ-CC over double Rayleigh channels from an information theoretic perspective. Analytical approximations are derived for the ϵ-outage capacity, the average number of transmissions, and the throughput of HARQ-CC. Moreover, we evaluate the delay experienced by Poisson-arriving packets for HARQ-CC. We provide analytical expression…

Computer Networks and CommunicationsComputer scienceAerospace EngineeringHybrid automatic repeat request020302 automobile design & engineering020206 networking & telecommunicationsThroughput02 engineering and technologyData_CODINGANDINFORMATIONTHEORYCommunications systemsymbols.namesake0203 mechanical engineeringAutomotive Engineering0202 electrical engineering electronic engineering information engineeringsymbolsFadingElectrical and Electronic EngineeringRayleigh scatteringThroughput (business)AlgorithmDecoding methodsCommunication channelRayleigh fadingComputer Science::Information Theory
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Modeling and Performance Analysis of Channel Assembling in Multichannel Cognitive Radio Networks With Spectrum Adaptation

2012

[EN] To accommodate spectrum access in multichannel cognitive radio networks (CRNs), the channel-assembling technique, which combines several channels together as one channel, has been proposed in many medium access control (MAC) protocols. However, analytical models for CRNs enabled with this technique have not been thoroughly investigated. In this paper, two representative channel-assembling strategies that consider spectrum adaptation and heterogeneous traffic are proposed, and the performance of these strategies is evaluated based on the proposed continuous-time Markov chain (CTMC) models. Moreover, approximations of these models in the quasistationary regime are analyzed, and closed-fo…

Computer Networks and CommunicationsComputer scienceAerospace EngineeringMarkov process02 engineering and technologyContinuous-time Markov chain (CTMC) modelsChannel assemblingsymbols.namesake0203 mechanical engineering0202 electrical engineering electronic engineering information engineeringCognitive radio networks (CRNs)Electrical and Electronic EngineeringAdaptation (computer science)SimulationMarkov chainPerformance analysisSpectrum (functional analysis)020206 networking & telecommunications020302 automobile design & engineeringINGENIERIA TELEMATICACognitive radioAutomotive EngineeringsymbolsSpectrum adaptationAlgorithmCommunication channelIEEE Transactions on Vehicular Technology
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