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Search results for: covid-19 molecular docking multi-epitopes vaccinesmm-pbsa/mm-gbsa analysis sars-cov-2 variants
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Fast multi-objective optimization of antenna structures by means of data-driven surrogates and dimensionality reduction
PublicationDesign of contemporary antenna structures needs to account for several and often conflicting objectives. These are pertinent to both electrical and field properties of the antenna but also its geometry (e.g., footprint minimization). For practical reasons, especially to facilitate efficient optimization, single-objective formulations are most often employed, through either a priori preference articulation, objective aggregation,...
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(S)-N-Nitrosoazetidine-2-carboxylic acid.
PublicationAnaliza rentgenograficzna monokryształów kwasu (S)-N-nitozoazetydyno-2-karboksylowego wykazała, że reszta N-nitrozoaminowa przyjmuje konfigurację E. Azetydynowy atom azotu jest nieznacznie piramidalny. Cząsteczki w sieci krystalicznej oddziałują ze sobą poprzez wiązania wodorowe pomiędzy atomem tlenu grupy nitrozowej i atomem wodoru grupy karboksylowej, tworząc polimeryczny łańcuch.
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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Acinic cell adenocarcinoma - Female, 39 - Tissue image [1310630013018851]
Open Research DataThis is the histopathological image of PAROTID GLANID tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Acinic cell adenocarcinoma - Female, 39 - Tissue image [1310630013019851]
Open Research DataThis is the histopathological image of PAROTID GLANID tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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University Students’ Research on Artificial Intelligence and Knowledge Management. A Review and Report of Multi-case Studies
PublicationLeading technologies are very attractive for students preparing their theses as the completion of their studies. Such an orientation of students connected with professional experiences seems to be a crucial motivator in the research in the management and business areas where these technologies condition the development of professional activities. The goal of the paper is the analysis of students’ thesis topics defended in the last...
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Cost Analysis of Prefabricated Elements of the Ordinary and Lightweight Concrete Walls in Residential Construction
PublicationGlobal economic growth causes an increase in natural resources exploitation, particularly in construction branch. The growing use of electricity contributes to climate change. Therefore, it is necessary to search the solutions, which will allow for reducing natural resources exploitation. One of the many opportunities to do that is the application of the recycled materials. The authors of the given article have analyzed three variants...
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Generalized Pareto ranking bisection for computationally feasible multi-objective antenna optimization
PublicationMulti-objective optimization (MO) allows for obtaining comprehensive information about possible design trade-offs of a given antenna structure. Yet, executing MO using the most popular class of techniques, population-based metaheuristics, may be computationally prohibitive when full-wave EM analysis is utilized for antenna evaluation. In this work, a low-cost and fully deterministic MO methodology is introduced. The proposed generalized...
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Rapid multi-objective design optimization of miniaturized impedance transformer by Pareto front exploration
PublicationFast multi-objective optimization of compact impedance transformer is discussed. A set of alternative designs representing possible trade-offs between conflicting design criteria, i.e., electrical performance (here, wideband matching) and the structure size, is obtained through Pareto front exploration by means of surrogate-assisted methods.
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Cost-efficient multi-objective design optimization of antennas in highly-dimensional parameter spaces
PublicationMulti-objective optimization of antenna structures in highly-dimensional parameter spaces is investigated. For expedited design, variable-fidelity EM simulations and domain patching algorithm are utilized. The results obtained for a monopole antenna with 13 geometry parameters are compared with surrogate-assisted optimization involving response surface approximation modeling.
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Nieustanne dążenia do redukcji rzazu. Konferencja: Reminiscencje z 19. Międzynarodowego Seminarium Obróbki Drewna w Nanjing
PublicationW artykule scharakteryzowano wybrane referaty przedstawiane podczas 19. International Wood Machining Seminar, które odbyło się w październiku 2009 r. w Nanjing w Chinach. Szereg wygłaszanych referatów zwracało uwagę na oszczędności materiałowe, jakie są możliwe do uzyskania poprzez redukcję rzazu w operacjach rozpiłowywania surowca. Drugą grupę stanowiły prace poświęcone skrawaniu drewna po obróbce hydrotermicznej. Tradycyjnie...
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Concomitant consumption of Aronia melanocarpa aqueous extract and low cadmium doses improve serum and bone antioxidative status in a rat model
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5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one
PublicationTytułowy związek otrzymano w reakcji soli potasowej kwasu O,O-neopentylidenomonoselenofosforowego z jodkiem metylu. Analiza krystalograficzna tego estru wykazała, że grupa selenometylowa zajmuje pozycję aksjalną względem sześcioczłonowego pierścienia dioksafosforinanu.
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1-(2-Pyridylazo)-2-naphthol as Possible Analytical Reagent
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FEM Analysis of Multi Storied RC Structure using (E-TAB simulation ) and Need of High rise structures in Developing Countries
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Recent Advances in Accelerated Multi-Objective Design of High-Frequency Structures using Knowledge-Based Constrained Modeling Approach
PublicationDesign automation, including reliable optimization of engineering systems, is of paramount importance for both academia and industry. This includes the design of high-frequency structures (antennas, microwave circuits, integrated photonic components), where the appropriate adjustment of geometry and material parameters is crucial to meet stringent performance requirements dictated by practical applications. Realistic design has...
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Connectivity in Multi-Interface Networks
PublicationRozważano zagadnienie minimalizacji energii w sieciach bezprzewodowych bez infrastruktury, w których niektóre węzły są wyposażone w więcej, niż jeden interfejs. W przyjętym modelu sieci podano nowe algorytmy przybliżone oraz wyniki dotyczące złożoności obliczeniowej dla problemu najtańszej spójnej podsieci spinającej.
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The Workshop on Multi-Phase Flows
PublicationPrzedstawiono ideę warsztatów ''Modelowanie przepływów wielofazowych w układach termochemicznych'' - organizowanych corocznie - od 2000 roku, przez Podsekcję Przepływów Wielofazowych Komitetu Mechaniki PAN. Omówiono tematykę VI Warsztatów, które były poświęcone głównie metodom eksperymentalnym.
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublicationThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Jarosław Ziętarski dr
PeopleJarosław Ziętarski is a lecturer (PhD) in the Department of Finance at the Faculty of Management and Economics of the Gdańsk University of Technology. He has his own channel on the youtube platform called "FAT CAT Financial Education" where he popularizes knowledge in the field of management accounting. He was on the organizing committee of the 28th Annual Multinational Finance Society Conference. Courses taught: Introduction...
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublicationThis 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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Multi-transformer primary-side regulated flyback converter for supplying isolated IGBT and MOSFET drivers
PublicationThis paper presents primary-side voltage regulated multi-transformer quasi-resonant flyback converter (MTFC) for supplying isolated power switch drivers. The proposed topology offers distinct advantages over frequently used flyback converter possessing one high frequency transformer with isolated multiple outputs. Particularly, when a large number of separate dc supply units is required, then MTFC enables improved regular distribution...
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Numerical analysis of high temperature minichannels heat exchanger performance
PublicationNowadays, the most difficult technological challenge in energy sector is connected with the gas micro-CHP units, dedicated to the distributed power generation. They are expected to be of high efficiency and at the same time of compact in size. Regarding the first reason, significant increase in microturbine efficiency can only be achieved by increase in the engine operating temperature. Therefore, one of the critical elements in...
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WILiŚ - Bud. sem.1, 2 - Matematyka - Ćwiczenia 2018/19 (D. Grott)
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A high-accuracy complex-phase method of simulating X-ray propagation through a multi-lens system
PublicationThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. For solving the problem for an electromagnetic wave, a finite-difference method is applied. The error of simulation is analytically estimated and investigated. It was found that a very detailed difference grid is required for reliable and accurate calculations of the propagation of X-ray waves through a multi-lens...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Sensory analysis of bread samples with the addition of beetroot
Open Research DataThe data set presents the results of the sensory analysis of bread samples with the addition of beetroot, which was carried out by the sensory profiling analysis method based on the PN-ISO 11035: 1999 standard – “Sensory analysis - Identification and selection of descriptors for determining the sensory profile using multivariate methods”. The method...
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Electricity demand prediction by multi-agent system with history-based weighting
PublicationEnergy and load demand forecasting in short-horizons, over an interval ranging from one hour to one week, is crucial for on-line scheduling and security functions of power system. Many load forecasting methods have been developed in recent years which are usually complex solutions with many adjustable parameters. Best-matching models and their relevant parameters have to be determined in a search procedure. We propose a hybrid...
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An Algorithm for Listing All Minimal 2-Dominating Sets of a Tree
PublicationWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3248n) . This implies that every tree has at most 1.3248 n minimal 2-dominating sets. We also show that this bound is tigh.
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Digital Photogrammetry in the Analysis of the Ventricles' Shape and Size
PublicationThis article presents spatial analyzes conducted to assess the potential of ReMake software to be used for medical purposes, with emphasis on the analysis of the shape and dimensions of the ventricles. To achieve this goal, the length of the sections measured with the ReMake and Image Master programs have been compared. RMS error was on the level of 1.2 mm. In addition to indicating the appropriateness of using this software, there...
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Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation
PublicationWe report cross-section results from experimental and theoretical investigations into electron collisions with the 2-methyl–1,3-butadiene [C5H8] molecule. The current results are compared with our previous results for the 1,3-butadiene [C4H6] molecule, a structural homologue of 2-methyl–1,3-butadiene, to investigate how the methylation (the substitution of hydrogen atom by a methyl group) affects the shape and/or magnitude of the...
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Sieve analysis of natural and magnetite aggregate
Open Research DataSieve analysis of natural river sand and magnetite aggregate used for concrete production
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Graphs with equal domination and 2-distance domination numbers
PublicationW publikacji scharakteryzowane są wszystkie te drzewa i grafy jednocykliczne, w których liczba dominowania oraz liczba 2-dominowania na odległość są sobie równe.
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Error analysis for European IGS stations
PublicationEach of the GPS time series that describes the changes of topocentric components consists of a deterministic and a stochastic part, whose character influences the errors of the deterministic parameters. As to the uncertainties of reliable velocities of permanent satellite station systems, surveys that estimate and take into account any dependencies that may affect subsequent operational efficiency are very important. For this analysis,...
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Edge coloring of graphs of signed class 1 and 2
PublicationRecently, Behr (2020) introduced a notion of the chromatic index of signed graphs and proved that for every signed graph (G, σ) it holds that ∆(G) ≤ χ′(G,σ) ≤ ∆(G) + 1, where ∆(G) is the maximum degree of G and χ′ denotes its chromatic index. In general, the chromatic index of (G, σ) depends on both the underlying graph G and the signature σ. In the paper we study graphs G for which χ′(G, σ) does not depend on σ. To this aim we...
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Molecular Metabolism
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Molecular Autism
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Molecular Cytogenetics
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Molecular Brain
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Molecular Astrophysics
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Molecular Syndromology
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Molecular Oncology
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MOLECULAR CARCINOGENESIS
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Molecular Pain
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MOLECULAR BIOLOGY
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MOLECULAR ENDOCRINOLOGY
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MOLECULAR PSYCHIATRY
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MOLECULAR INTERVENTIONS
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