Search results for "Methodology"

showing 10 items of 852 documents

Getting Docking into Shape Using Negative Image-Based Rescoring

2019

The failure of default scoring functions to ensure virtual screening enrichment is a persistent problem for the molecular docking algorithms used in the structure-based drug discovery. To remedy this problem, elaborate rescoring and post-processing schemes have been developed with a varying degree of success, specificity, and cost. The negative imagebased rescoring (R-NiB) has been shown to improve the flexible docking performance markedly with a variety of drug targets.The yield improvement is achieved by comparing the alternative docking poses against the negative image of the target protein’s ligand-binding cavity. In other words, the shape and electrostatics of the binding pocket is dir…

Protein ConformationComputer scienceGeneral Chemical EngineeringDrug Evaluation PreclinicalBinding pocketLibrary and Information SciencesCrystallography X-RayMachine learningcomputer.software_genre01 natural sciencesArticledrugsAutodock vinaUser-Computer InterfaceDOCK0103 physical sciencesVirtual screening010304 chemical physicsbusiness.industryDrug discoveryGeneral Chemistrymolecular dockingPANTHER/ShaEP-based R-NiB methodologyAutoDock0104 chemical sciencesComputer Science ApplicationsMolecular Docking SimulationBenchmarking010404 medicinal & biomolecular chemistryDocking (molecular)Artificial intelligencebusinesscomputer
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Parental communication and feelings of affiliation in adolescent aggressors and victims of cyberbullying

2018

Cyberbullying is an increasingly frequent problem among adolescents, and it produces considerable social concern. Using a cross-sectional and quantitative methodology, the main objective of this study was to analyze the differences among students involved in the perpetration and victimization of cyberbullying (non-involved, occasional, and severe), in their parental communication, and feelings of affiliation with classmates. The sample consisted of 849 adolescents (51.7% boys and 48.3% girls) from 12 to 18 years old (M = 14.5

Psicologia socialmedia_common.quotation_subjectQuantitative methodologyvictimization05 social scienceseducationperpetrationGeneral Social Sciences050109 social psychologySample (statistics)parental communicationcyberbullyingpeersDevelopmental psychologylcsh:Social Scienceslcsh:HIntimidationFeeling0501 psychology and cognitive sciencesaffiliationPsychology050104 developmental & child psychologymedia_common
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Simone de Beauvoir on Sexual Difference

2018

In the introduction to The Second Sex, Simone de Beauvoir clarifies her philosophical approach to embodiment and sexual difference by writing: “However, it is said, in the perspective which I adopt—that of Heidegger, Sartre and Merleau-Ponty—that if the body is not a thing, it is a situation: it is our grasp upon the world and an outline of our projects.”

PsychoanalysisPhilosophyGRASPPerspective (graphical)Sexual differencePhilosophical methodology
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Mixed Methods Research in Music Therapy

2015

Mixed Methods Research (MMR) combines different research methodologies in the same study with the goals of producing better and more profound knowledge of the phenomenon under investigation than use of a single method would achieve. Typically, both quantitative and qualitative approaches are employed in MMR. Music therapy is an example of a complex research area, where MMR can be considered a suitable way to capture and reflect the complexity of practice. There are many ways to understand and conduct MMR and the field is developing quickly. The chapter briefly describes MMR and its latest developments using examples of music therapy research in which MMR has been applied. Though MMR is a we…

PsychotherapistMusic therapyMultimethodologyPsychologyClinical psychology
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ICT adoption in hotels and electronic word-of-mouth

2015

Purpose The purpose of this paper is to investigate how information and communication technology (ICT) adoption in hotels contributes to satisfaction and loyalty from the consumer perspective, considering the online dimension of recommendations. Design/methodology/approach A quantitative research based on a structured questionnaire and using a personal survey method was developed. Surveys were conducted on 386 guests from Spanish hotels. Causal methodology by testing structural equation model was applied. Findings Significant relationships are obtained in the sequence “ICT use perception – satisfaction with ICT – overall satisfaction with the hotel – dimensions of loyalty” and the mediatin…

Public Administrationbusiness.industryStrategy and Managementmedia_common.quotation_subjectStructural equation modelingSurvey methodologyInformation and Communications TechnologyHospitalityPerceptionLoyaltyBusiness and International ManagementDimension (data warehouse)MarketingbusinessPsychologyGeneral Economics Econometrics and FinanceTourismmedia_commonAcademia Revista Latinoamericana de Administración
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Chronic obstructive lung disease “expert system”: Validation of a predictive tool for assisting diagnosis

2018

Purpose: The purposes of this study were development and validation of an expert system (ES) aimed at supporting the diagnosis of chronic obstructive lung disease (COLD). Methods: A questionnaire and a WebFlex code were developed and validated in silico. An expert panel pilot validation on 60 cases and a clinical validation on 241 cases were performed. Results: The developed questionnaire and code validated in silico resulted in a suitable tool to support the medical diagnosis. The clinical validation of the ES was performed in an academic setting that included six different reference centers for respiratory diseases. The results of the ES expressed as a score associated with the risk of su…

Pulmonary and Respiratory MedicineChronic ObstructivePilot ProjectsExpert SystemsSettore MED/10 - Malattie Dell'Apparato RespiratorioPulmonary DiseasePulmonary Disease Chronic ObstructiveSoftware DesignSurveys and QuestionnairesChronic obstructive lung diseaseDiagnosisSurveys and QuestionnaireHumansAge FactorPilot ProjectExpert SystemChronic obstructive lung diseasesAgedHealth PolicyEnvironmental and Occupational HealthPublic Health Environmental and Occupational HealthMethodologyAge FactorsChronic obstructive lung diseases Diagnosis Expert systems Pulmonary and Respiratory Medicine Health Policy Public Health Environmental and Occupational HealthMiddle AgedAsthmaCoughSpirometrySample SizeChronic DiseasePublic HealthChronic obstructive lung diseases; Diagnosis; Expert systems; Age Factors; Aged; Asthma; Chronic Disease; Cough; Humans; Middle Aged; Pilot Projects; Pulmonary Disease Chronic Obstructive; Sample Size; Spirometry; Expert Systems; Software Design; Surveys and QuestionnairesDiagnosiHuman
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Instruction-based clinical eye-tracking study on the visual interpretation of divergence : how do students look at vector field plots?

2018

Relating mathematical concepts to graphical representations is a challenging task for students. In this paper, we introduce two visual strategies to qualitatively interpret the divergence of graphical vector field representations. One strategy is based on the graphical interpretation of partial derivatives, while the other is based on the flux concept. We test the effectiveness of both strategies in an instruction-based eye-tracking study with N = 41 physics majors. We found that students’ performance improved when both strategies were introduced (74% correct) instead of only one strategy (64% correct), and students performed best when they were free to choose between the two strategies (88…

QC1-999graafinen esitysUndergraduate StudentsPhysics Education ResearchGeneral Physics and AstronomyResearch MethodologyContext (language use)LernenAssessmentMachine learningcomputer.software_genre01 natural sciencesEducationVisual processingsilmänliikkeetddc:370Concept learning0103 physical sciencesvektorit (matematiikka)ddc:530ta516Wissensrepräsentation010306 general physicsDivergence (statistics)graphical representationsvisual processingeye-trackingLC8-6691studentsopiskelijatbusiness.industryPhysicsMultimethodology05 social sciencesConcepts & Principles050301 educationKognitives LernenSpecial aspects of educationSaccadic maskingPhysikdidaktikEye trackingPartial derivativeArtificial intelligencebusinessvector fields0503 educationcomputer
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Acoso escolar y Educación Física: una revisión sistemática (Bullying in schools and Physical Education: A systematic review)

2018

El objetivo de este trabajo es realizar una revisión sistemática de estudios sobre acoso escolar y Educación Física (EF). Se identifican, categorizan y analizan los artículos señalando sus características y sintetizando los principales temas de investigación y su contenido. Para ello, se ha consultado la base de datos Web of Science®. Se seleccionaron un total de 19 artículos científicos. Respecto al análisis documental, se presentan hallazgos sobre revistas más productivas, autores e instituciones con mayor actividad investigadora en este campo y metodología de investigación utilizada en los estudios encontrados. Además, se hace un análisis cualitativo centrado en el contenido de los 4 tem…

Qualitative analysisEducational communityResearch methodologyOrthopedics and Sports MedicinePhysical Therapy Sports Therapy and RehabilitationTeaching improvementPsychologyHumanitiesEducationRetos
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Aqueous enzymatic process assisted by microwave extraction of oil from yellow horn (Xanthoceras sorbifolia Bunge.) seed kernels and its quality evalu…

2013

Abstract In this study, aqueous enzymatic process (AEP) assisted by microwave extraction (ME) of oil from yellow horn ( Xanthoceras sorbifolia Bunge.) seed kernel was investigated. Central composite design (CCD) and response surface methodology (RSM) were used to optimise an enzyme cocktail (cellulase, hemicellulase, pectinase) for AEP. The main factors of ME were also studied. A maximal oil extraction yield of 55.8% was achieved under optimal conditions. Moreover, scanning electron microscope (SEM) was applied to characterise the extraction process. Analysing chemical composition of the extracted oil by GC–MS showed that the content of unsaturated fatty acids by this emerging method (91.18…

Quality ControlChromatographyAqueous solutionCentral composite designbiologyGlycoside HydrolasesChemistryExtraction (chemistry)General MedicineCellulaseChemical FractionationGas Chromatography-Mass SpectrometryAnalytical ChemistrySapindaceaeYield (chemistry)Seedsbiology.proteinPlant OilsResponse surface methodologyPectinaseMicrowavesChemical compositionFood ScienceFood chemistry
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IMPACT OF THE "COMUNICAT" METHODOLOGY ON THE IMPROVEMENT OF THE "EFFECTIVE ORAL COMMUNICATION" STUDENT OUTCOME OF THE STUDENTS OF THE MASTER IN FOOD …

2019

[EN] During academic course 2017-2018 the Comunica't methodology was created to help students to self-learn all the skills needed to master the areas of domain of the general student outcome effective oral communication. After two academic years of implementation, the goal of this work is to analyse the degree of contribution of this methodology to development of the "Effective Oral Communication students outcome of students that followed the methodology during the subject Audits of Food Safety and Quality Systems, belonging to the Master in Food Safety and Quality Management. To this end, at the beginning of the subject, students were asked to present a topic related to the subject and eva…

Quality managementTECNOLOGIA DE ALIMENTOSmedia_common.quotation_subjectESTADISTICA E INVESTIGACION OPERATIVAeducationComunicació oralCloud computingEffective oral communicationOutcome (game theory)Auto-diagnosisOral communicationNursingCIENCIAS DE LA COMPUTACION E INTELIGENCIA ARTIFICIALComputingMilieux_COMPUTERSANDEDUCATIONQuality (business)COMPOSICION ARQUITECTONICASelf-learningLearning impactmedia_commonbusiness.industryFood safetyWork (electrical)Self-learning methodologyORGANIZACION DE EMPRESASPsychologybusinessLENGUAJES Y SISTEMAS INFORMATICOSEDULEARN Proceedings
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