Search results for "COMPUTATION"

showing 10 items of 7362 documents

Deciphering genomic heterogeneity and the internal composition of tumour activities through a hierarchical factorisation model

2021

Genomic heterogeneity constitutes one of the most distinctive features of cancer diseases, limiting the efficacy and availability of medical treatments. Tumorigenesis emerges as a strongly stochastic process, producing a variable landscape of genomic configurations. In this context, matrix factorisation techniques represent a suitable approach for modelling such complex patterns of variability. In this work, we present a hierarchical factorisation model conceived from a systems biology point of view. The model integrates the topology of molecular pathways, allowing to simultaneously factorise genes and pathways activity matrices. The protocol was evaluated by using simulations, showing a hi…

:Informàtica::Aplicacions de la informàtica::Bioinformàtica [Àrees temàtiques de la UPC]Matrix factorisationComputer scienceBioinformaticsGeneral MathematicsSystems biologyPopulationMatrix factorisationContext (language use)Computational biologyComputational biologyGenomic heterogeneitygenomic heterogeneityFactorizationBioinformàticaSimulació per ordinadorComputer Science (miscellaneous)QA1-939cancerVariabilityeducationEngineering (miscellaneous)Topology (chemistry)Cancereducation.field_of_studyvariabilitymatrix factorisationLimitingbioinformaticsCàncer--Aspectes genèticsGenòmicaBreast--CancerTumorigenesisMathematics
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Avaluació psicomètrica de l'estimació en numeració i càlcul a l'educació primària

2006

L'estimació en numeració i càlcul ha pres rellevància en les dues darreres dècades per la seva importància i necessitat social i, per aquest motiu, ha estat progressivament inclosa en els currículums de matemàtiques de l'educació obligatòria. Tanmateix, el treball de l'estimació a l'aula es veu reduït freqüentment a les tècniques d'arrodoniment i els alumnes no es mostren hàbils a l'hora de desenvolupar estratègies d'estimació o de decidir quan un càlcul estimat és adient per a una situació problemàtica. En aquest article es presenta un test adreçat a estudiar els processos utilitzats en tasques d'estimació en numeració i càlcul per infants que han acabat l'educació primària. S'explica el m…

:PSICOLOGÍA [UNESCO]UNESCO::PSICOLOGÍAestimació i càlcul mental psicometria educació primària estimation and mental computation psychometrics elementary school. Artículo
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A computation study to evaluate indoor gamma dose-rate on the basis of outdoor measurements

2006

A computation study to evaluate indoor gamma dose-rate on the basis of outdoor measurementsSettore MED/42 - Igiene Generale E Applicata
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A tribute to Massimo Lanza de Cristoforis

2020

It is with great pleasure that we dedicate the special issue Functional Analytic Methods in Partial Differential Equations of Complex Variables and Elliptic Equations to the 60th birthday of Massim...

A tribute to Lanza de CristoforisNumerical AnalysisPartial differential equationApplied Mathematicsmedia_common.quotation_subject010102 general mathematicsSettore MAT/04 - Matematiche Complementari01 natural sciencesPhysics::History of PhysicsPleasure010101 applied mathematicsAlgebraComputational MathematicsH. BegehrSettore MAT/05 - Analisi MatematicaComplex variables0101 mathematicsAnalysisMathematicsmedia_common
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Genetic structure and differentiation from early bronze age in the mediterranean island of sicily: Insights from ancient mitochondrial genomes

2022

Sicily is one of the main islands of the Mediterranean Sea, and it is characterized by a variety of archaeological records, material culture and traditions, reflecting the history of migrations and populations’ interaction since its first colonization, during the Paleolithic. These deep and complex demographic and cultural dynamics should have affected the genomic landscape of Sicily at different levels; however, the relative impact of these migrations on the genomic structure and differentiation within the island remains largely unknown. The available Sicilian modern genetic data gave a picture of the current genetic structure, but the paucity of ancient data did not allow so far to make p…

ANCIENT DNA mitochondrial genomes genetic structure coalescent simulations approximate bayesian computationa DNA Sicily Mediterranean Early Bronze Age MotyaMediterraneanSettore BIO/08 - AntropologiaMotyacoalescent simulationsmitochondrial genomesGeneticsEarly Bronze Agegenetic structureMolecular MedicineANCIENT DNAa DNASicilyGenetics (clinical)approximate bayesian computation
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Large numbers of cold positronium atoms created in laser-selected Rydberg states using resonant charge exchange

2016

Lasers are used to control the production of highly excited positronium atoms (Ps*). The laser light excites Cs atoms to Rydberg states that have a large cross section for resonant charge-exchange collisions with cold trapped positrons. For each trial with 30 million trapped positrons, more than 700 000 of the created Ps* have trajectories near the axis of the apparatus, and are detected using Stark ionization. This number of Ps* is 500 times higher than realized in an earlier proof-of-principle demonstration (2004 Phys. Lett. B 597 257). A second charge exchange of these near-axis Ps* with trapped antiprotons could be used to produce cold antihydrogen, and this antihydrogen production is e…

ANTIHYDROGENGeneral PhysicsAntiparticlepositronium0205 Optical Physics0307 Theoretical And Computational ChemistryPLASMASCONFINEMENTPhysics Atomic Molecular & Chemical01 natural sciences010305 fluids & plasmasPositroniumsymbols.namesake0202 Atomic Molecular Nuclear Particle And Plasma PhysicsIonization0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Atomic Physics010306 general physicsAntihydrogenpositronsPhysicsCondensed Matter::Quantum GasesScience & TechnologyPhysicsOpticsRydberg statesCondensed Matter PhysicsAtomic and Molecular Physics and Opticscharge-exchangeExcited stateAntimatterPhysical SciencesRydberg formulasymbolsAtomic physicsLepton
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Cytotoxicity of 35 medicinal plants from Sudan towards sensitive and multidrug-resistant cancer cells

2015

Abstract Background Cancer is a complex disease with multiple genetic and epigenetic alterations. Since decades, the hallmark of cancer therapy is chemotherapy. Cytotoxic drugs erase rapidly dividing cells without sufficient differentiation between normal and cancerous cells resulting in severe side effects in normal tissues. Recently, strategies for cancer treatment focused on targeting specific proteins involved in tumor growth and progression. The present study was designed to investigate the cytotoxicity of 65 crude extracts from 35 Sudanese medicinal plants towards various cancer cell lines expressing molecular mechanisms of resistance towards classical chemotherapeutics (two ATP-bindi…

ATP Binding Cassette Transporter Subfamily BCytoskeleton organizationCell SurvivalDNA repairBiologyPharmacologySudanSesquiterpenes GuaianeImmune systemCell Line TumorOxazinesDrug DiscoveryHumansATP Binding Cassette Transporter Subfamily B Member 1EpigeneticsCytotoxicityPharmacologyPlants MedicinalComputational BiologyAntineoplastic Agents PhytogenicDrug Resistance MultipleGene expression profilingXanthenesDrug Resistance NeoplasmPharmacogeneticsCell cultureCancer cellCancer researchIndicators and ReagentsTumor Suppressor Protein p53SesquiterpenesJournal of Ethnopharmacology
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Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics

2021

Graphical abstract

ATP Adenosine-triphosphateNBD nucleotide binding domainGSH reduced glutathionePolypharmacologyAlzheimer’s disease (AD)ATP-binding cassette transporterHTS high-throughput screeningBiochemistryABCA7Structural BiologyPLIF protein ligand interactionMSD membrane spanning domainPDB protein data bankTM transmembrane helixABC ATP-binding cassetteMultitarget modulation (PANABC)RMSD root mean square distanceABC transporter (ABCA1 ABCA4 ABCA7)Computer Science ApplicationsMOE Molecular Operating EnvironmentPharmacophoreSNP single-nucleotide polymorphismBiotechnologyResearch ArticleBBB blood-brain barrierBiophysicsDrug designComputational biologyBiologyAD Alzheimer’s diseasePET positron emission tomographyIC intracellular helixAPP amyloid precursor proteincryo-EM cryogenic-electron microscopyGeneticsHomology modelingBinding siteRational drug design and developmentComputingMethodologies_COMPUTERGRAPHICSNBD-cholesterol 7-nitro-2-13-benzoxadiazol-4-yl-cholesterolTransporterPSO particle swarm optimizationPET tracer (PETABC)ECD extracellular domainR-domain/region regulatory domain/regionABCA1biology.proteinEH extracellular helixTP248.13-248.65BODIPY-cholesterol 44-difluoro-4-bora-3a4a-diaza-s-indacene-cholesterolComputational and Structural Biotechnology Journal
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Theoretical study of photoinduced ring-isomerization in the 1,2,4-oxadiazole series

2004

Abstract A theoretical study of photoinduced ring-isomerization of 3-amino-5-methyl- and 3-amino-5-phenyl-1,2,4-oxadiazoles is reported. The results well agree with the reported experimental data: in particular, they explain the ring-photoisomerization into the corresponding 2-amino-1,3,4-oxadiazoles through a ring contraction-ring expansion route; moreover, the occurrence of competing pathways involving both the ring contraction and the internal cyclization–isomerization mechanism during irradiation of the 5-alkyl substituted substrates in the presence of a base has been also substantiated.

Ab initio calculationPhotoisomerizationPhotochemistryChemistryHeterocycleOrganic ChemistryOxadiazoleSettore CHIM/06 - Chimica OrganicaPhotochemistryBiochemistrychemistry.chemical_compoundComputational chemistryAb initio quantum chemistry methodsPhotoisomerizationDrug Discovery124-OxadiazoleIsomerizationTetrahedron
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Reply to Comment on “Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations”

2011

Ab initio molecular dynamicsConductive polymerProtonComputational chemistryChemistryGeneral Chemical EngineeringMaterials ChemistryGeneral ChemistryMechanism (sociology)Chemistry of Materials
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