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Wyniki wyszukiwania dla: MOLECULAR DYNAMICS SIMULATION
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International Journal of Simulation and Process Modelling
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BMJ Simulation & Technology Enhanced Learning
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Journal of Advanced Simulation in Science and Engineering
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Advanced Modeling and Simulation in Engineering Sciences
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ACM Transactions on Modeling and Computer Simulation
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Fifth Workshop on Atomic and Molecular Physics
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublikacjaHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Cellular and molecular basis of thyroid autoimmunity
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Molecular Modeling of Meta II Rhodopsin
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Probing Radiation Damage at the Molecular Level
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Generating molecular entities as structured data
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The molecular entities in linked data dataset
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Molecular structure and electrochemical properties of alkyldithiocarbamates.
PublikacjaZastosowano klasyczne metody elektroanalityczne do badania właściwości redoks ditiokarbaminianów litu w środowisku dimetylosulfotlenku. Użyto elektrody z platyny i węgla szklistego. Badane związki zsyntezowano z N,N'-dimetyloetylenodiaminy, do której podstawiono jedną lub dwie grupy ditiokarbonylowe na drodze reakcji z CS2 w środowisku alkalicznym. Stwierdzono, że elektrochemiczne utlenianie ditiokarbaminianów przebiega z udziałem...
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Molecular modelling of a psychrophilic β-galactosidase
PublikacjaAntarktyczny szczep, gram-ujemnych bakterii, wyizolowanych z przewodu pokarmowego kryla z gatunku Thyssanoessa macrura, sklasyfikowany na podstawie analizy sekwencji nukleotydowej geny 16S rDNA jako Pseudoalteromonas sp. 22b jest producentem wewnątrzkomórkowej zimnolubnej beta-galaktozydazy. Ponieważ enzym ten wykazuje wysoką aktywność katalityczną w zakresie temperatur od 0 do 30 stC, stanowi on atrakcyjny biokatalizator, użyteczny...
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Molecular Origin of Anticooperativity in Hydrophobic Association
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An ancestral molecular response to nanomaterial particulates
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Molecular Analysis of Retrogradation of Corn Starches
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Simulation model for evaluation of packet sequence changed order of stream in DiffServ network
PublikacjaCurrent packet networks use a large variety of mechanisms which should support QoS (Quality of Service). One of those mechanisms is routing (calculating connection paths for incoming service requests). The most effective mechanism in QoS context is dynamic routing, which is based on the current network state described by the offered traffic matrix and link states. After switching between calculated available paths, connection...
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The number of work permits issued (in thousands) and the dynamics of changes (%, year on year) in 2008-2018
Dane BadawczeThe number of work permits issued increased from 18,000 in 2008 to nearly 329 thousand in 2018, i.e. by 18 times. The largest increases in nominal terms occurred in 2015-2018, noting a change from 66 thousand in 2015, up to 127 thousand in 2016, 236,000 in 2017 and 329 thousand in 2018. The number of permits issued (in thousands) and the dynamics of...
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....
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Endothelial dysfunction due to eNOS uncoupling: molecular mechanisms as potential therapeutic targets
PublikacjaNitric oxide (NO) is one of the most important molecules released by endothelial cells, and its antiatherogenic properties support cardiovascular homeostasis. Diminished NO bioavailability is a common hallmark of endothelial dysfunction underlying the patho‑ genesis of the cardiovascular disease. Vascular NO is synthesized by endothelial nitric oxide synthase (eNOS) from the substrate L‑arginine (L‑Arg), with tetrahydrobiopterin...
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DISCRETE DYNAMICS IN NATURE AND SOCIETY
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Transportmetrica B-Transport Dynamics
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Journal of Spatial and Organizational Dynamics
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Dynamics of Partial Differential Equations
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International Journal of Dynamics and Control
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Journal of Applied Nonlinear Dynamics
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Nonlinear Dynamics and Systems Theory
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GEOPHYSICAL AND ASTROPHYSICAL FLUID DYNAMICS
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JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
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JOURNAL OF GUIDANCE CONTROL AND DYNAMICS
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JOURNAL OF ECONOMIC DYNAMICS & CONTROL
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Journal of Computational and Nonlinear Dynamics
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OPEN SYSTEMS & INFORMATION DYNAMICS
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PROGRESS IN COMPUTATIONAL FLUID DYNAMICS
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Journal of Dynamics and Differential Equations
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Russian Journal of Nonlinear Dynamics
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SOIL DYNAMICS AND EARTHQUAKE ENGINEERING
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STUDIES IN NONLINEAR DYNAMICS AND ECONOMETRICS
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THEORETICAL AND COMPUTATIONAL FLUID DYNAMICS
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Independent dynamics of low, intermediate, and high frequency spectral intracranial EEG activities during human memory formation
PublikacjaA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various frequency ranges are coordinated across the space of the human cortex and time of memory processing is inconclusive. They can either be coordinated together across the frequency spectrum at the same cortical site and time or induced independently in particular bands. We used a large dataset of human intracranial...
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Molecular identification and genotyping of Staphylococci: genus, species, strains, colnes, lineages, and interspecies exchanges
PublikacjaStaphylococci are increasingly recognized as etiological agents of many opportunistic human and animal infections, emphasizing the need for a rapid and accurate identification, even to a genotypical level of these bacteria. In the recent years, there has been a significant progress in typing and phylogenetic study of Staphylococcus species. Here, we describe molecular methods used in taxonomy as well as staphylococci characterization....
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Molecular mechanism(s) of regulation(s) of c-MET/HGF signaling in head and neck cancer
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublikacjaThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
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Redundantly Actuated 3RRR Parallel Planar Manipulator - Numerical Analyses of its Dynamics Sensitivity on Modifications of its Platform’s Inertia Parameters
PublikacjaIn the paper, numerical analyses, as well as dynamics of a complex mechanism, are presented. Two objectives are crucial for the paper: inverse dynamic model is needed (dedicated to be use in the model predictive controller); an identification method is searched (some trajectory parameters are controlled, when specific trajectory is tracked under an open-loop model-based control), as selected parameters must be identified for the...
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Molecular picture of hydroxide anion hydration in aqueoussolutions studied by FT-IR ATR spectroscopy
PublikacjaHydratacja anionu hydroksylowego w wodnych roztworach wodorotlenków metali alkalicznych (LiOH, NaOH, KOH) została zbadana metodą spektroskopii oscylacyjnej FT-IR całkowitego wewnętrznego odbicia (ATR). Widma oscylacyjne wody dostarczają cennych informacji na temat stanu strukturalnego cząsteczek wody w sferach hydratacyjnych, wynikających ze sprzężeń oscylatorów w układzie. Wykazano, że drganie normalne rozciągające cząsteczki...
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Evaluation of electrical parameters of traction supply system for complex railway traffic conditions, using simulation methods
PublikacjaDevelopment of electrified transport systems, railways modernization, expansion of urban transport networks, purchases of modern rolling stock causes that updating of electric traction supply system is necessary. This chapter presents an effective method for electrical parameters of traction supply system evaluation, using simulation methods.
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NONLINEAR DYNAMICS
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New PCR test for detection of Candida glabrata based on the molecular target chosen by the RAPD technique
PublikacjaRapid, reliable diagnosis is a necessary condition for the successful treatment of infections. Such diagnostic assays are continually being developed. #e paper presents a method for selecting the molecular target for PCR-based diagnostics based on the comparison of RAPD patterns. A sequence encoding Candida glabrata CBS138 hypothetical protein was selected. The limit of detection for PCR and real-time PCR reactions with DNA extracted...
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An Attempt to Develop a Model Selection Algorithm of Computer Simulation during the Design Process of Mechanical Response of Any Mechanical Body
PublikacjaIn the literature, there are algorithms associated with the design of simulations of technological processes, in which the material model has always been defined previously. However, in none of the studies of computer simulation modelling of technological processes known to the authors of this article, is there a detailed description of how the algorithm, or the selection of plastic model used, is subject to this process. This...