Search results for " Genetics"

showing 10 items of 4169 documents

A Hooke's law-based approach to protein folding rate

2014

Kinetics is a key aspect of the renowned protein folding problem. Here, we propose a comprehensive approach to folding kinetics where a polypeptide chain is assumed to behave as an elastic material described by the Hooke[U+05F3]s law. A novel parameter called elastic-folding constant results from our model and is suggested to distinguish between protein with two-state and multi-state folding pathways. A contact-free descriptor, named folding degree, is introduced as a suitable structural feature to study protein-folding kinetics. This approach generalizes the observed correlations between varieties of structural descriptors with the folding rate constant. Additionally several comparisons am…

Statistics and ProbabilityPROTDCALStructure analysisGeneral Biochemistry Genetics and Molecular BiologyArticleProtein Structure SecondaryAmino acid sequencesymbols.namesakeProtein structureEnergeticsFeature (machine learning)Statistical physicsProtein foldingTheoretical modelProtein secondary structureReaction kineticsGeneral Immunology and MicrobiologyChemical modelApplied MathematicsProteinHooke's lawModelingProteinsGeneral MedicineDNAComputer simulationElasticityFolding degreeFolding (chemistry)ChemistryKineticsModels ChemicalModeling and SimulationPeptidesymbolsProtein structureElastic folding constantPhysical chemistryProtein secondary structureThermodynamicsProtein foldingDownhill foldingPolypeptideGeneral Agricultural and Biological SciencesConstant (mathematics)Folding kinetics
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Dynamics of the Selkov oscillator.

2018

A classical example of a mathematical model for oscillations in a biological system is the Selkov oscillator, which is a simple description of glycolysis. It is a system of two ordinary differential equations which, when expressed in dimensionless variables, depends on two parameters. Surprisingly it appears that no complete rigorous analysis of the dynamics of this model has ever been given. In this paper several properties of the dynamics of solutions of the model are established. With a view to studying unbounded solutions a thorough analysis of the Poincar\'e compactification of the system is given. It is proved that for any values of the parameters there are solutions which tend to inf…

Statistics and ProbabilityPeriodicityQuantitative Biology - Subcellular ProcessesClassical exampleFOS: Physical sciencesDynamical Systems (math.DS)01 natural sciencesModels BiologicalGeneral Biochemistry Genetics and Molecular Biology010305 fluids & plasmassymbols.namesake0103 physical sciencesFOS: MathematicsPhysics - Biological PhysicsMathematics - Dynamical Systems0101 mathematicsSubcellular Processes (q-bio.SC)MathematicsGeneral Immunology and MicrobiologyCompactification (physics)Applied Mathematics010102 general mathematicsMathematical analysisGeneral MedicineMathematical ConceptsKineticsMonotone polygonBiological Physics (physics.bio-ph)FOS: Biological sciencesModeling and SimulationBounded functionOrdinary differential equationPoincaré conjecturesymbolsGeneral Agricultural and Biological SciencesGlycolysisDimensionless quantityMathematical biosciences
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Energy efficient modulation of dendritic processing functions

1998

The voltage dependent ionic conductances and the passive properties of the neural membrane determine how external inputs are processed by the dendritic tree, and define the computational characteristics of neurons. However, what controls these characteristics and how they are implemented at the single neuron level, in such a way that an external input results in the coding of the appropriate output, is essentially unknown. We show here that a slow inactivation of the Na+ channel, involved in the attenuation and/or failure of APs in the dendrites, acts as an active and energy efficient filter of synaptic input, and results in an activity-dependent control of the properties of individual neur…

Statistics and ProbabilityPhysicsApplied MathematicsAttenuationModels NeurologicalAction PotentialsDendritesGeneral MedicineGeneral Biochemistry Genetics and Molecular Biologymedicine.anatomical_structureFilter (video)ModulationModeling and SimulationLimit (music)medicineNeuronNeuroscienceSodium Channel BlockersEfficient energy useVoltageCommunication channelBiosystems
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Ancestral processes in population genetics-the coalescent.

2000

A special stochastic process, called the coalescent, is of fundamental interest in population genetics. For a large class of population models this process is the appropriate tool to analyse the ancestral structure of a sample of n individuals or genes, if the total number of individuals in the population is sufficiently large. A corresponding convergence theorem was first proved by Kingman in 1982 for the Wright-Fisher model and the Moran model. Generalizations to a large class of exchangeable population models and to models with overlying mutation processes followed shortly later. One speaks of the "robustness of the coalescent, as this process appears in many models as the total populati…

Statistics and ProbabilityPopulationIdealised populationPopulation DynamicsWatterson estimatorPopulation geneticsBiologyGeneral Biochemistry Genetics and Molecular BiologyCoalescent theoryEconometricsQuantitative Biology::Populations and EvolutionAnimalsSelection GeneticeducationRecombination Geneticeducation.field_of_studyStochastic ProcessesModels StatisticalGeneral Immunology and MicrobiologyModels GeneticStochastic processApplied MathematicsRobustness (evolution)General MedicinePopulation modelEvolutionary biologyModeling and SimulationMutationGeneral Agricultural and Biological SciencesJournal of theoretical biology
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Global stability of protein folding from an empirical free energy function

2013

The principles governing protein folding stand as one of the biggest challenges of Biophysics. Modeling the global stability of proteins and predicting their tertiary structure are hard tasks, due in part to the variety and large number of forces involved and the difficulties to describe them with sufficient accuracy. We have developed a fast, physics-based empirical potential, intended to be used in global structure prediction methods. This model considers four main contributions: Two entropic factors, the hydrophobic effect and configurational entropy, and two terms resulting from a decomposition of close-packing interactions, namely the balance of the dispersive interactions of folded an…

Statistics and ProbabilityProtein FoldingEmpirical potential for proteinsConfiguration entropyPROTCALBioinformaticsGeneral Biochemistry Genetics and Molecular BiologyForce field (chemistry)Protein structureStatistical physicsDatabases ProteinQuantitative Biology::BiomoleculesModels StatisticalFoldXGeneral Immunology and MicrobiologyApplied MathematicsProteinsReproducibility of ResultsGeneral MedicineProtein tertiary structureProtein Structure TertiaryPrediction of protein folding stabilityModeling and SimulationLinear ModelsThermodynamicsProtein foldingGeneral Agricultural and Biological SciencesStatistical potentialAlgorithmsSoftwareTest dataJournal of Theoretical Biology
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Antibacterial Activity of Flavonoids Against Methicillin-resistant Staphylococcus aureus strains

2000

An experimental and theoretical study was performed on the anti-staphylococcal activity of 18 natural and synthetic flavonoids against methicillin-resistant Staphylococcus aureus strains. The analysed flavonoids belong to three well-differentiated structural patterns: chalcones, flavanones and flavones. The quantitative analysis of the anti-staphylococcal activity of the compounds was carried out by determining their percent inhibition degree. The hierarchical cluster analysis method was used to analyse the anti-MRSA activity of the compounds. With this methodology, the flavonoids were classified into four groups according to their anti-staphylococcal activity (high, sufficient, intermediat…

Statistics and ProbabilityStaphylococcus aureusChalconeStereochemistryFlavonoidMicrobial Sensitivity Testsmedicine.disease_causeFlavonesGeneral Biochemistry Genetics and Molecular BiologyStructure-Activity Relationshipchemistry.chemical_compoundChalconemedicineAnimalsCluster AnalysisHumansStructure–activity relationshipFlavonoidschemistry.chemical_classificationGeneral Immunology and MicrobiologyApplied MathematicsGeneral MedicineStaphylococcal InfectionsMethicillin-resistant Staphylococcus aureusAnti-Bacterial AgentschemistryBiochemistryStaphylococcus aureusModeling and SimulationMethicillin ResistanceGeneral Agricultural and Biological SciencesAntibacterial activityQuantitative analysis (chemistry)Journal of Theoretical Biology
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A hypothetical model of the influence of inorganic phosphate on the kinetics of pyruvate kinase

2000

This paper presents a simple solution to the problem of approximating the calculated curve of reaction progress to the measured curve which is usually disturbed by initial oscillation of auxiliary lactate dehydrogenase (LDH) reaction. The experiments leading to the determination of the apparent Km for phosphoenolpyruvate (PEP) and Vm were performed. For precise estimation of kinetic parameters (Km and Vm) of the M1 isozyme of pyruvate kinase (PK), measured by coupling it to LDH reaction, the sequence of Michaelis‐Menten for pyruvate kinase and second-order kinetics for lactate dehydrogenase reaction as well as a non-zero initial concentration of lactate was assumed. The functions of apparen…

Statistics and ProbabilityStereochemistryPyruvate KinaseIn Vitro TechniquesModels BiologicalGeneral Biochemistry Genetics and Molecular BiologyPhosphatesPhosphoenolpyruvatechemistry.chemical_compoundAdenosine TriphosphateLactate dehydrogenaseAnimalsEnzyme kineticsEnzyme InhibitorsL-Lactate DehydrogenaseKinaseApplied MathematicsGeneral MedicineNADPhosphateAdenosine DiphosphateDissociation constantKineticsBiochemistrychemistryModeling and SimulationCattleUncompetitive inhibitorPhosphoenolpyruvate carboxykinasePyruvate kinaseBiosystems
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Misinterpretation risks of global stochastic optimisation of kinetic models revealed by multiple optimisation runs

2016

Abstract One of use cases for metabolic network optimisation of biotechnologically applied microorganisms is the in silico design of new strains with an improved distribution of metabolic fluxes. Global stochastic optimisation methods (genetic algorithms, evolutionary programing, particle swarm and others) can optimise complicated nonlinear kinetic models and are friendly for unexperienced user: they can return optimisation results with default method settings (population size, number of generations and others) and without adaptation of the model. Drawbacks of these methods (stochastic behaviour, undefined duration of optimisation, possible stagnation and no guaranty of reaching optima) cau…

Statistics and ProbabilitySucroseMathematical optimizationComputer scienceSystems biology0206 medical engineeringMetabolic network02 engineering and technologyModels BiologicalGeneral Biochemistry Genetics and Molecular Biology03 medical and health sciencesYeastsConvergence (routing)HomeostasisUse caseLimit (mathematics)030304 developmental biologyStochastic Processes0303 health sciencesGeneral Immunology and MicrobiologyApplied MathematicsParticle swarm optimizationGeneral MedicineEnzymesSaccharumConstraint (information theory)Nonlinear systemModeling and SimulationGeneral Agricultural and Biological SciencesMetabolic Networks and Pathways020602 bioinformaticsMathematical Biosciences
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Basic networks: Definition and applications

2009

7 pages, 4 figures, 1 table.-- PMID: 19490867 [PubMed]

Statistics and ProbabilityTheoretical computer scienceInteractomeGeodesicinteractomeSteiner tree problemModels BiologicalGeneral Biochemistry Genetics and Molecular BiologyGraph03 medical and health sciencessymbols.namesakeModuleProtein Interaction MappingmoduleAnimalsSteiner tree030304 developmental biologyMathematicsDiscrete mathematics0303 health sciencesModels StatisticalGeneral Immunology and MicrobiologyApplied Mathematics030302 biochemistry & molecular biologyGeneral MedicinegraphGraphModeling and SimulationsymbolsNeural Networks ComputerGeneral Agricultural and Biological SciencesAlgorithms
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Comment on "Ecological importance of the thermal emissivity of avian eggshells".

2012

Eggshell emissivity must be known to determine accurately the cooling rate of avian eggs when the parent, after heating by conduction during the incubation, is temporarily absent. We estimate possible values of eggshell emissivities from in-situ measurements and spectral libraries. Emissivity is near to 1 (probably higher than 0.95) and therefore its effect on cooling rate may be negligible, with differences between the temperature of the egg assuming a value of e=0.95 and that of a blackbody (e=1) below 0.2 °C.

Statistics and ProbabilityThermal infraredMaterials scienceGeneral Immunology and MicrobiologyEcologyApplied MathematicsGeneral MedicineThermal conductionModels BiologicalGeneral Biochemistry Genetics and Molecular BiologyBirdsEgg ShellCooling rateThermal radiationModeling and SimulationEmissivityAnimalsBlack-body radiationEggshellGeneral Agricultural and Biological SciencesBody Temperature RegulationJournal of theoretical biology
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