A5078992769- Advanced Chemical Physics Studies
- COVID-19 epidemiological studies
- Spectroscopy and Quantum Chemical Studies
- Mathematical and Theoretical Epidemiology and Ecology Models
- Enzyme Structure and Function
- SARS-CoV-2 and COVID-19 Research
- Protein Structure and Dynamics
- Molecular spectroscopy and chirality
- Nonlinear Dynamics and Pattern Formation
- Formal Methods in Verification
- Evolution and Genetic Dynamics
- Advanced Physical and Chemical Molecular Interactions
- Metabolism and Genetic Disorders
- Numerical methods for differential equations
- Model-Driven Software Engineering Techniques
- Stability and Controllability of Differential Equations
- COVID-19 Pandemic Impacts
- Amino Acid Enzymes and Metabolism
- Point processes and geometric inequalities
- Mathematical Biology Tumor Growth
- Polymer crystallization and properties
- Various Chemistry Research Topics
- Molecular Spectroscopy and Structure
- Quantum, superfluid, helium dynamics
- Computational Drug Discovery Methods
University of Szeged
2012-2024
Rice University
2015-2022
Halmstad University
2016
University of Bergen
2011-2015
Hungarian Academy of Sciences
1976-2010
Budapest University of Technology and Economics
2006
Institute of General and Physical Chemistry
1990
University of California, San Francisco
1986
Institute of Molecular Life Sciences
1977-1985
Institute of Biophysics
1981
We developed a computational tool to assess the risks of novel coronavirus outbreaks outside China. estimate dependence risk major outbreak in country from imported cases on key parameters such as: (i) evolution cumulative number mainland China closed areas; (ii) connectivity destination with China, including baseline travel frequencies, effect restrictions, and efficacy entry screening at destination; (iii) control measures (expressed by local reproduction R loc ). found that countries low...
COVID-19 epidemic has been suppressed in Hungary due to timely non-pharmaceutical interventions, prompting a considerable reduction the number of contacts and transmission virus. This strategy was effective preventing growth reducing incidence low levels. In this report, we present first epidemiological statistical analysis early phase outbreak Hungary. Then, establish an age-structured compartmental model explore alternative post-lockdown scenarios. We incorporate various factors, such as...
Three models, linked in series, can be used to analyze combined pharmacokinetic (PK) and pharmacodynamic (PD) data arising from non—steady-state experiments. A PK model relates dose plasma drug concentration (Cp); a link Cp at the effect site (Ce); PD Ce (E). All three submodels stated parametrically. Recently use of nonparametric submodel has been proposed (CLIN PHARMACOL THER 1984;35:733-41). In this article we an extended approach that represents both models nonparametrically, but retains...
Abstract We developed a computational tool to assess the risks of novel coronavirus outbreaks outside China. estimate dependence risk major outbreak in country from imported cases on key parameters such as: (i) evolution cumulative number mainland China closed areas; (ii) connectivity destination with China, including baseline travel frequencies, effect restrictions, and efficacy entry screening at destination; (iii) control measures (expressed by local reproduction R loc ). found that...
A method based upon the principle that unlike domains of bonding are reflected in different re‐activities and distribution residues can be crosslinked, has been elaborated for determination symmetry oligomeric proteins. The derivation theoretical curves prediction crosslinking patterns tetramers produced by reaction with a bifunctional reagent subsequent sodium‐dodecylsulphate‐gel electrophoretic analysis is presented. Based theory properties tetramer, to extent whether it an isologous or...
Abstract Diagrammatic formulation of the MBPT is applied when occupied and virtual canonical orbitals are separately localized by unitary transformations. In this representation, due to off‐diagonal Fock matrix elements, perturbation operator contains extra terms generating so‐called localization corrections. These corrections enter energy in third higher orders. Their magnitude depends on type localization, but they represent only a small fraction The calculation corrections, however, does...
AbstractIn this study, we consider the difference equation where is a positive parameter and d non-negative integer. The case = 0 was introduced by W.E. Ricker in 1954. For delayed version of equation, S. Levin R. May conjectured 1976 that local stability non-trivial equilibrium implies its global stability. Based on rigorous, computer-aided calculations analytical tools, prove conjecture for 1.Keywords:: stabilityrigorous numericsNeimark–Sacker bifurcationgraph representationsinterval...
We performed molecular dynamics simulations on the tryptophane-cage miniprotein using a nonpolarizable force field, in order to model effect of concentrated water solutions neutral salts protein conformation, which is manifestation Hofmeister effects. From equilibrium values and fluctuations solvent accessible surface area miniprotein, salt-induced changes mean value protein-water interfacial tension were determined. At 300 K, chaotropic ClO4(-) NO3(-) decreased according their position...
Abstract COVID-19 epidemic has been suppressed in Hungary due to timely non-pharmaceutical interventions, prompting a huge reduction the number of contacts and transmission virus. This strategy was effective preventing growth reducing incidence low levels. In this report, we present first epidemiological statistical analysis early phase outbreak Hungary. Then, establish an age-structured compartmental model explore alternative post-lockdown scenarios. We incorporate various factors, such as...
SIRS models capture transmission dynamics of infectious diseases for which immunity is not lifelong. Extending these by a W compartment individuals with waning immunity, the boosting immune system upon repeated exposure may be incorporated. Previous analyses assumed identical rates from R to and S. This implicitly assumes equal length period full waned immunity. We relax this restriction, allow an asymmetric partitioning total period. Stability switches endemic equilibrium are investigated...
The behavior of some narrow single-wall carbon nanotubes under uniaxial stress was studied. first principles local density-functional calculations were carried out using helical repeat units and periodic boundary conditions for a single infinite chain. mechanical response the tube, geometrical deformations, axial elastic modulus are calculated. deformations reflected also in electronic properties. change band gaps chiral tubules investigated. indirect...
Human erythrocytes were treated with highly tritiated [3H]iodoacetate under conditions when half of the label became attached to glyceraldehyde-3-phosphate dehydrogenase. After fixation, cells subjected electron microscopic autoradiography. For evaluation distribution grains, which relatively few, a computerized method was developed. Statistical analysis data showed significant adherence grains cell membrane. The results support view that dehydrogenase is localized near membrane in intact...
Even simple hybrid automata like the classic bouncing ball can exhibit Zeno behavior. The existence of this type behavior has so far forced a large class simulators to either ignore some events or risk looping indefinitely. This in turn forces modelers insert ad-hoc restrictions circumvent abandon automata. To address problem, we take fresh look at event detection and localization. A key insight that emerges from investigation is an enclosure for given time interval be valid independent...
Our software framework, Proteus, treats adaptation as a first-class object, enabling rapid development of robust, adaptive applications. Proteus developers specify their programs' intent and adaptable components (or knobs). A control-theoretic runtime continually monitors the running application, adjusting knobs so that specified is met.
We study the classical Mackey–Glass delay differential equationx′(t)=−ax(t)+bfn(x(t−1)) where a,b,n are positive reals, and fn(ξ)=ξ/[1+ξn] for ξ≥0. As a limiting (n→∞) case we also consider discontinuous equationx′(t)=−ax(t)+bf(x(t−1)) f(ξ)=ξ ξ∈[0,1), f(1)=1/2, f(ξ)=0 ξ>1. First, certain parameter values b>a>0, an orbitally asymptotically stable periodic orbit is constructed equation. Then it shown that large of n, with same parameters a,b, equation has near to Although obtained orbits...
Paxlovid is a promising, orally bioavailable novel drug for SARS-CoV-2 with excellent safety profiles. Our main goal here to explore the pharmacometric features of this new antiviral. To provide detailed assessment Paxlovid, we propose hybrid multiscale mathematical approach. We demonstrate that results present in silico evaluation match clinical expectations remarkably well: on one hand, our computations successfully replicate outcome an actual vitro experiment; other verify both...
The force constants and elastic properties of some polymers are calculated with a full-electron, crystal-orbital density functional method. Calculations carried out on single helical chains polyethylene, polytetrafluoroethylene (teflon), polyglycine (nylon-2), nylon-3. longitudinal moduli obtained both from the Hessian by direct elongation relaxations. different degrees freedom ranked according to their contributions response. It is shown, that proper choice internal coordinates makes it...