Search results for "Computer Science Application"

showing 10 items of 3998 documents

A new parallel pipeline for DNA methylation analysis of long reads datasets

2017

Background DNA methylation is an important mechanism of epigenetic regulation in development and disease. New generation sequencers allow genome-wide measurements of the methylation status by reading short stretches of the DNA sequence (Methyl-seq). Several software tools for methylation analysis have been proposed over recent years. However, the current trend is that the new sequencers and the ones expected for an upcoming future yield sequences of increasing length, making these software tools inefficient and obsolete. Results In this paper, we propose a new software based on a strategy for methylation analysis of Methyl-seq sequencing data that requires much shorter execution times while…

0301 basic medicineComputer scienceParallel pipelineADN02 engineering and technologycomputer.software_genreBiochemistrySensitivity and SpecificityDNA sequencingEpigenesis Genetic03 medical and health scienceschemistry.chemical_compoundStructural BiologyRNA analysisInformàticaDatabases Genetic0202 electrical engineering electronic engineering information engineeringHumansEpigeneticsMolecular Biology020203 distributed computingDNA methylationGenome HumanApplied MathematicsParallel pipelineMethylationSequence Analysis DNASupercomputerComputer Science ApplicationsGenòmica030104 developmental biologychemistryGene Expression RegulationDNA methylationMutationData miningHigh performance computingDNA microarraycomputerSequence AlignmentDNASoftware
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SpCLUST: Towards a fast and reliable clustering for potentially divergent biological sequences

2019

International audience; This paper presents SpCLUST, a new C++ package that takes a list of sequences as input, aligns them with MUSCLE, computes their similarity matrix in parallel and then performs the clustering. SpCLUST extends a previously released software by integrating additional scoring matrices which enables it to cover the clustering of amino-acid sequences. The similarity matrix is now computed in parallel according to the master/slave distributed architecture, using MPI. Performance analysis, realized on two real datasets of 100 nucleotide sequences and 1049 amino-acids ones, show that the resulting library substantially outperforms the original Python package. The proposed pac…

0301 basic medicineComputer science[INFO.INFO-SE] Computer Science [cs]/Software Engineering [cs.SE]Health Informatics[INFO.INFO-SE]Computer Science [cs]/Software Engineering [cs.SE][INFO.INFO-IU]Computer Science [cs]/Ubiquitous Computing03 medical and health sciences[INFO.INFO-CR]Computer Science [cs]/Cryptography and Security [cs.CR]0302 clinical medicineSoftware[INFO.INFO-ET] Computer Science [cs]/Emerging Technologies [cs.ET][INFO.INFO-DC] Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]Cluster AnalysisHumansCluster analysis[INFO.INFO-CR] Computer Science [cs]/Cryptography and Security [cs.CR]computer.programming_languagebusiness.industry[INFO.INFO-IU] Computer Science [cs]/Ubiquitous ComputingSimilarity matrixPattern recognitionDNAGenomicsSequence Analysis DNAPython (programming language)Mixture model[INFO.INFO-MO]Computer Science [cs]/Modeling and SimulationSpectral clusteringComputer Science Applications030104 developmental biologyComputingMethodologies_PATTERNRECOGNITION[INFO.INFO-MA]Computer Science [cs]/Multiagent Systems [cs.MA][INFO.INFO-ET]Computer Science [cs]/Emerging Technologies [cs.ET][INFO.INFO-MA] Computer Science [cs]/Multiagent Systems [cs.MA][INFO.INFO-MO] Computer Science [cs]/Modeling and SimulationArtificial intelligence[INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]businesscomputerAlgorithmsSoftware030217 neurology & neurosurgery
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Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization

2016

Receiver operating characteristics (ROC) curve with the calculation of area under curve (AUC) is a useful tool to evaluate the performance of biomedical and chemoinformatics data. For example, in virtual drug screening ROC curves are very often used to visualize the efficiency of the used application to separate active ligands from inactive molecules. Unfortunately, most of the available tools for ROC analysis are implemented into commercially available software packages, or are plugins in statistical software, which are not always the easiest to use. Here, we present Rocker, a simple ROC curve visualization tool that can be used for the generation of publication quality images. Rocker also…

0301 basic medicineComputer scienceautomatic calculationLibrary and Information Sciencescomputer.software_genre01 natural sciences03 medical and health sciencesSoftwareArea under curvePlug-inPhysical and Theoretical ChemistryVirtual screeningReceiver operating characteristicbusiness.industryComputer Graphics and Computer-Aided Design0104 chemical sciencesComputer Science ApplicationsVisualizationreceiver operating characteristics010404 medicinal & biomolecular chemistryIdentification (information)ComputingMethodologies_PATTERNRECOGNITION030104 developmental biologyarea under curvesRockerCheminformaticsData miningbusinesscomputerSoftwaresoftwaresJournal of Cheminformatics
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Dynamic large-scale network synchronization from perception to action

2018

Sensory-guided actions entail the processing of sensory information, generation of perceptual decisions, and the generation of appropriate actions. Neuronal activity underlying these processes is distributed into sensory, fronto-parietal, and motor brain areas, respectively. How the neuronal processing is coordinated across these brain areas to support functions from perception to action remains unknown. We investigated whether phase synchronization in large-scale networks coordinate these processes. We recorded human cortical activity with magnetoencephalography (MEG) during a task in which weak somatosensory stimuli remained unperceived or were perceived. We then assessed dynamic evolutio…

0301 basic medicineComputer sciencemedia_common.quotation_subjectSomatosensorySensory systemSynchronizationSomatosensory systemlcsh:RC321-57103 medical and health sciences0302 clinical medicineArtificial IntelligencePerceptionMotor systemSynchronization (computer science)medicinePremovement neuronal activitylcsh:Neurosciences. Biological psychiatry. Neuropsychiatrymedia_commonMEGmedicine.diagnostic_testApplied MathematicsGeneral NeuroscienceResearchCommunication3112 NeurosciencesMagnetoencephalographyPhase synchronizationComputer Science Applications030104 developmental biologyActionPerceptionNeuroscience030217 neurology & neurosurgery
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The Active Inference Approach to Ecological Perception: General Information Dynamics for Natural and Artificial Embodied Cognition

2018

The emerging neurocomputational vision of humans as embodied, ecologically embedded, social agents – who shape and are shaped by their environment – offers a golden opportunity to revisit and revise ideas about the physical and information-theoretic underpinnings of life, mind, and consciousness itself. In particular, the active inference framework (AIF) makes it possible to bridge connections from computational neuroscience and robotics/AI to ecological psychology and phenomenology, revealing common underpinnings and overcoming key limitations. AIF opposes the mechanistic to the reductive, while staying fully grounded in a naturalistic and information theoretic foundation, using the princi…

0301 basic medicineComputer sciencemedia_common.quotation_subjectlcsh:Mechanical engineering and machineryaffordancesInferencelcsh:QA75.5-76.9503 medical and health sciences0302 clinical medicineArtificial IntelligencePerceptionHypothesis and TheoryEcological psychologyevolutionlcsh:TJ1-1570AffordanceuncertaintyFrame problemmedia_commonembodimentSelf-organizationCognitive scienceRobotics and AIfree energyself-organizationframe problemComputer Science Applications030104 developmental biologyEmbodied cognitionlcsh:Electronic computers. Computer scienceConsciousnessskilled expertiseB1030217 neurology & neurosurgeryFrontiers in Robotics and AI
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In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors

2020

Coronavirus Disease 2019 (COVID-19) is an infectious illness caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), originally identified in Wuhan, China (December 2019) and has since expanded into a pandemic. Here, we investigate metabolites present in several common spices as possible inhibitors of COVID-19. Specifically, 32 compounds isolated from 14 cooking seasonings were examined as inhibitors for SARS-CoV-2 main protease (Mpro), which is required for viral multiplication. Using a drug discovery approach to identify possible antiviral leads, in silico molecular docking studies were performed. Docking calculations revealed a high potency of salvianolic acid A and curcu…

0301 basic medicineCurcuminIn silicomedicine.medical_treatmentPneumonia ViralHealth InformaticsMolecular dynamicsMolecular Dynamics SimulationViral Nonstructural ProteinsArticleSARS-CoV-2 main proteaseBetacoronavirus03 medical and health scienceschemistry.chemical_compoundCaffeic Acids0302 clinical medicineDrug DiscoverymedicineHumansProtease InhibitorsSpicesPandemicsCoronavirus 3C Proteaseschemistry.chemical_classificationNatural productProteaseSARS-CoV-2Secondary metabolitesCOVID-19LopinavirAmino acidComputer Science ApplicationsMolecular Docking SimulationCysteine Endopeptidases030104 developmental biologyEnzymechemistryBiochemistryDocking (molecular)Molecular dockingLactatesCurcuminThermodynamicsCoronavirus Infections030217 neurology & neurosurgerymedicine.drugComputers in Biology and Medicine
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Loss of ISWI Function in Drosophila Nuclear Bodies Drives Cytoplasmic Redistribution of Drosophila TDP-43

2018

Over the past decade, evidence has identified a link between protein aggregation, RNA biology, and a subset of degenerative diseases. An important feature of these disorders is the cytoplasmic or nuclear aggregation of RNA-binding proteins (RBPs). Redistribution of RBPs, such as the human TAR DNA-binding 43 protein (TDP-43) from the nucleus to cytoplasmic inclusions is a pathological feature of several diseases. Indeed, sporadic and familial forms of amyotrophic lateral sclerosis (ALS) and fronto-temporal lobar degeneration share as hallmarks ubiquitin-positive inclusions. Recently, the wide spectrum of neurodegenerative diseases characterized by RBPs functions’ alteration and loss was coll…

0301 basic medicineCytoplasmCytoplasmic inclusionFluorescent Antibody TechniqueProtein aggregationHeterogeneous ribonucleoprotein particleHeterogeneous-Nuclear Ribonucleoproteinslcsh:Chemistry0302 clinical medicineDrosophila Proteinsneurodegenerative diseasesnuclear bodylcsh:QH301-705.5SpectroscopyGeneral MedicinehnRNPsComputer Science ApplicationsCell biologyChromatinTransport proteinDNA-Binding ProteinsProtein Transportmedicine.anatomical_structureDrosophilaDrosophila ProteinProtein BindingImitation SWIBiologyCatalysisArticleInorganic Chemistryomega speckles03 medical and health sciencesmedicineAnimalsPhysical and Theoretical ChemistryMolecular BiologyGenetic Association StudiesCell NucleusOrganic Chemistryta1182Chromatin Assembly and DisassemblyCell nucleus030104 developmental biologylcsh:Biology (General)lcsh:QD1-999gene expression<i>Drosophila</i>; nuclear body; omega speckles; dTDP-43; hnRNPs; omega speckles; neurodegenerative diseases; gene expression; gene regulationdTDP-43gene regulation030217 neurology & neurosurgeryInternational Journal of Molecular Sciences
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DNA Damage and Repair in Degenerative Diseases 2016

2016

Given the great importance of the integrity of DNA for the correct transmission of the genetic message, repairing the induced lesions to its molecular structure by different endogenous or exogenous origin is crucial for the maintenance of homeostasis and biological functions of living organisms.[...]

0301 basic medicineDNA RepairDNA damageEndogenyBiologyCatalysisEpigenesis GeneticInorganic Chemistrylcsh:Chemistry03 medical and health scienceschemistry.chemical_compoundAnimalsHumansDiseasePhysical and Theoretical ChemistryMolecular Biologylcsh:QH301-705.5SpectroscopyOrganic ChemistryGeneral MedicineComputer Science ApplicationsCell biologyDietOxidative Stress030104 developmental biologyEditorialn/achemistrylcsh:Biology (General)lcsh:QD1-999DNAHomeostasisDNA DamageInternational Journal of Molecular Sciences
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DNA Injury and Repair Systems

2018

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0301 basic medicineDNA ReplicationDNA RepairMEDLINEDiseaseComputational biologyGenomeCatalysisInorganic Chemistrylcsh:Chemistry03 medical and health sciencesText miningMedicineAnimalsHumansDiseasePhysical and Theoretical ChemistryPhosphorylationMolecular BiologyDNA injurylcsh:QH301-705.5Spectroscopybusiness.industryGenome HumanOrganic ChemistryGeneral MedicineHuman geneticsComputer Science Applications030104 developmental biologyn/aEditoriallcsh:Biology (General)lcsh:QD1-999businessIntroductory Journal ArticleDNA DamageInternational Journal of Molecular Sciences
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From Ecology to Biotechnology, Study of the Defense Strategies of Algae and Halophytes (from Trapani Saltworks, NW Sicily) with a Focus on Antioxidan…

2019

This study aimed at the characterization of the antioxidant power of polyphenol extracts (PE) obtained from the algae Cystoseira foeniculacea (CYS) (Phaeophyta) and from the halophyte Halocnemum strobilaceum (HAL), growing in the solar saltworks of western Sicily (Italy), and at the evaluation of their anti-microfouling properties, in order to correlate these activities to defense strategies in extreme environmental conditions. The antioxidant properties were assessed in the PE based on the total antioxidant activity test and the reducing power test

0301 basic medicineDPPH[CHIM.THER]Chemical Sciences/Medicinal Chemistry<i>Cystoseira foeniculacea</i>010501 environmental sciences01 natural sciencesAntioxidantsAnti-oxidantlcsh:Chemistrychemistry.chemical_compoundcrude extractsMarine bacteriophageAnti-Infective Agentslipid oxidationbiodimarCystoseira foeniculacea<i>Halocnemum strobilaceum</i>brown algaFood scienceGallic acidSicilylcsh:QH301-705.5SpectroscopyEcologybiologyanti-microbialmarine-bacteriaantifoulingHalocnemum strobilaceumSalt-Tolerant PlantsGeneral MedicineClosteriumComputer Science Applicationsseaweedscystoseiraradical-scavenging activityBiotechnologyMicrobial Sensitivity TestsPhaeophytaArticleCatalysisInorganic Chemistry03 medical and health sciencesantifouling activitiesPicratesAlgaeLipid oxidationDefense14. Life underwaterPhysical and Theoretical ChemistryMolecular BiologyShellfishpolyphenols0105 earth and related environmental sciencesBacteriaACLBiphenyl CompoundsOrganic Chemistrybiology.organism_classificationdefenses030104 developmental biologychemistrylcsh:Biology (General)lcsh:QD1-99913. Climate actionPolyphenolanti-oxidantsseasonal-variation[SDE.BE]Environmental Sciences/Biodiversity and Ecologyphenolic compositionInternational Journal of Molecular Sciences
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