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Search results for: ACCURATE DOCKING
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Influence of ducting geometry on working parameters of pipe type hydraulic turbines
PublicationMała energetyka wodna. Omówiono własności użytkowe - głównie, sprawność i adaptacyjność - uzyskiwane poprzez rozwiązania układów turbinowych stosowanych w obszarze zagospodarowywania piętrzeń niskospadowych. Wskazano przyczyny od których te własności zależą. Pokazano też przykład rozwiązania o pożądanych własnościach dla zagospodarowywania obiektów w mało atrakcyjnym ekonomicznie obszarze piętrzeń najniższych.
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An efficient molecular docking using conformational space annealing
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Biochemical, Structural Analysis, and Docking Studies of Spiropyrazoline Derivatives
PublicationIn this study, we evaluated the antiproliferative potential, DNA damage, crystal struc‐ tures, and docking calculation of two spiropyrazoline derivatives. The main focus of the research was to evaluate the antiproliferative potential of synthesized compounds towards eight cancer cell lines. Compound I demonstrated promising antiproliferative properties, especially toward the HL60 cell line, for which IC50 was equal to 9.4 μM/L....
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Locking entanglement with a single qubit
PublicationBadamy utratę plątania dwuczęściowego stanu narażanego na odrzucenie lub pomiar jednego kubitu.
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Accurate Computation of IGBT Junction Temperature in PLECS
PublicationIn the article, a new method to improve the accuracy of the insulated-gate bipolar transistor (IGBT) junction temperature computations in the piecewise linear electrical circuit simulation (PLECS) software is proposed and described in detail. This method allows computing the IGBT junction temperature using a nonlinear compact thermal model of this device in PLECS. In the method, a nonlinear compact thermal model of the IGBT is...
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EDD – Economic Benefit Analysis of Extending Dry Docking Interval
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Locking effects in finite elemnt method
PublicationIn the present paper a short survey of the locking effect literature is given. As this area of scientific research is still developing, the author of the paper restricted it to about 70 papers. This study is proposed as an introduction to the comprehensive investigation of locking effects.
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Preliminary analysis of proposed ship docking systems for a designed floating dock
PublicationW artykule przedstawiono alternatywne koncepcje, wraz z ich analizą porównawczą, urządzeń dokujących statek na doku pływającym. Dok ten projektowany był na Wydziale Oceanotechniki i Okrętownictwa Politechniki Gdańskiej w ramach projektu ECOLOGICAL DOCK E!2968. Zaprezentowane rozwiązania różnią się głównie rodzajem zastosowanych w nich urządzeń: w pierwszym przypadku są to przewijarki i wózki dokujące, zaś w drugim - wciągarki...
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Windowing of the Discrete Green's Function for Accurate FDTD Computations
PublicationThe paper presents systematic evaluation of the applicability of parametric and nonparametric window functions for truncation of the discrete Green's function (DGF). This function is directly derived from the FDTD update equations, thus the FDTD method and its integral discrete formulation can be perfectly coupled using DGF. Unfortunately, the DGF computations require processor time, hence DGF has to be truncated with appropriate...
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Comment on "On accurate capacitance characterization of organic photovoltaic cells"
PublicationIn the 100th volume of Applied Physics Letters Carr and Chaudhary have presented a work on capacitance characterization of organic photovoltaic cells. The work concerns small signal measurements of various organic photovoltaic structures. The authors however limit their considerations to one part of small signal response, namely to capacitance measured either in parallel mode or in series mode. This attitude generally does not...
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Simple and accurate field interpolation in finite difference methods
PublicationW artykule wprowadzono nową metodę interpolacji pól w metodzie różnic skończonych. Metoda jest prosta i daje wyniki bardziej dokładne niż w przypadku interpolacji liniowej. Proponowana metoda interpolacji może zostać użyta do poprawienia dokładności takich metod, jak subgridding.
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Frame sawing machines for accurate wood re-sawing
PublicationPrzedstawiono zwięzłą historię pilarek ramowych. Zaprezentowano ekologiczne i ekonomiczne zalety pilarek ramowych nowej generacji. Opisano podstawowe cechy układów kinematycznych nowoczesnych pilarek ramowych oraz podano ich podstawowe dane techniczne.
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Accurate modeling of quasi-resonant inverter fed IM drive
PublicationIn this paper wide-band modeling methodology of a parallel quasi-resonant dc link inverter (PQRDCLI) fed induction machine (IM) is presented. The modeling objective is early-design stage prediction of conductive electromagnetic interference (EMI) emissions of the considered converter fed IM drive system. Operation principles of the selected topology of PQRDCLI feeding IM drive are given. Modeling of the converter drive system is...
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The Quick Measure of a Nurbs Surface Curvature for Accurate Triangular Meshing
PublicationNURBS surfaces are the most widely used surfaces for three-dimensional models in CAD/CAE programs. As a model for FEM calculation is prepared with a CAD program it is inevitable to mesh it finally. There are many algorithms for meshing planar regions. Some of them may be used for meshing surfaces but it is necessary to take the curvature of the surface under consideration to avoid poor quality mesh. The mesh must be denser in the...
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Influence of aggregates angularity on the locking point of asphalt mixtures
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3D GIS technology. More accurate GIS-every-day-reality
PublicationGeographical space can be described with the Geographic Information System (GIS). It consists of software, hardware, data, algorithms, procedures for processing information and accessibility, as well as the people who use the system and the legal, technological and organisational procedures. GIS is commonly applied in such studies as “Environmental Protection Programmes”, and in numerous reports and documents regarding spatial...
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Accurate simulation-driven modeling and design optimization of compact microwave structures
PublicationCost efficient design optimization of microwave structures requires availability of fast yet reliable replacement models so that multiple evaluations of the structure at hand can be executed in reasonable timeframe. Direct utilization of full-wave electromagnetic (EM) simulations is often prohibitive. On the other hand, accurate data-driven modeling normally requires a very large number of training points and it is virtually infeasible...
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A method for the accurate numerical prediction of the tip vortices shed from hydrofoils
PublicationPraca przedstawia wyniki obliczeń numerycznych rozkładu wirowości i pól prędkości w przekrojach wirów wierzchołkowych generowanych przez płaty nośne. Obliczenia przeprowadzono przy pomocy nowej, wyspecjalizowanej metody dyskretyzacji obszaru przepływu. Rezultaty obliczeń porównano z wynikami pomiarów anemometrem laserowym za modelami płatów w tunelu kawitacyjnym. Porównanie to potwierdziło skuteczność nowej metody dyskretyzacji...
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Accurate design of pseudoelliptic inline SIW filters with frequency-dependent couplings
PublicationThis paper presents an accurate synthesis method for inline SIW (Substrate Integrated Waveguide) generalized Chebyshev bandpass filters with frequency-dependent couplings. The technique is based on the synthesis of a coupling matrix that takes into account the impedance of the frequency-dependent stub. Thus, a loading effect compensation in adjacent resonators (via resonant frequency adjustment) and coupling elements (via coupling-value...
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Accurate modelling of microwave structures using shape-preserving response prediction
PublicationArtykuł prezentuje metodologię dokładnego modelowania struktur mikrofalowych. Jest to zmodyfikowana wersja techniki opartej na procedurze przewidywania odpowiedzi z zachowaniem kształtu (shape-preserving response prediction, SPRP), która oszacowuje odpowiedź struktury mikrofalowej otrzymanej poprzez kosztowną obliczeniowo symulację elektromagnetyczną za pomocą taniego obliczeniowo modelu tejże struktury. Modyfikacja polega na wykorzystaniu...
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Reduction in Errors in Roughness Evaluation with an Accurate Definition of the S-L Surface
PublicationCharacterization of surface topography, roughly divided into measurement and data analysis, can be valuable in the process of validation of the tribological performance of machined parts. Surface topography, especially the roughness, can respond straightly to the machining process and, in some cases, is defined as a fingerprint of the manufacturing. When considering the high precision of surface topography studies, the definition...
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The complexity of node blocking for dags
PublicationRozważamy następującą grę (pomiędzy dwoma graczami) kombinatoryczną o nazwie ''node blocking''. Dany jest graf skierowany. Każdy wierzchołek może być zajęty przez co najwyżej jeden token. Wyróżniamy dwa kolory tokenów, biały i czarny, każdy gracz może przemieszczać tylko własne tokeny. Gracze wykonują ruchy naprzemiennie. Ruch polega na wyborze dowolnego tokena własnego koloru i przesunięciu go na dowolnego niezajętego przez inny...
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Port knocking - alternatywne rozwiązania
PublicationOmówiono techniki pukania w porty (ang. Port Knocking). Zaproponowano nowe wersje mechanizmu oparte o wykonanie sekwencji puknięć wieloma pakietami w jeden port: pukanie pakietami o różnej długości, przy czym długości te stanowiłyby sekwencję kodową, oraz pukanie, w którym sekwencją kodową są odcinki czasu pomiędzy pojawianiem się na porcie kolejnych pakietów. Rozważono możliwości zastosowania tego typu port knockingu i zaproponowano...
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Looking for a model of the contemporary university
PublicationPunktem wyjścia jest dokument Manifesto Empower European Universities dignozujący najważniejsze zadania czekające współczesne uczelnie europejskie. Są nimi: dywersyfikacja, umiędzynarodowienie i doskonalenie zarządzania. W tym kontekście autor artykułu zastanawia się na tym: gdzie jesteśmy?, dokąd zmierzamy? oraz jak tam dojść?, odnosząc pytania do polskich uniwersytetów. W konkluzji proponuje model uniwersytetu społecznie odpowiedzialnego.
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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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Mangiferin Affects Melanin Synthesis by an Influence on Tyrosinase: Inhibition, Mechanism of Action and Molecular Docking Studies
PublicationMangiferin is a strong antioxidant that presents a wide range of biological activities. The aim of this study was to evaluate, for the first time, the influence of mangiferin on tyrosinase, an enzyme responsible for melanin synthesis and the unwanted browning process of food. The research included both the kinetics and molecular interactions between tyrosinase and mangiferin. The research proved that mangiferin inhibits tyrosinase...
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublicationFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Robert Bogdanowicz dr hab. inż.
PeopleRobert Bogdanowicz received his Ph.D. degree with honours in Electronics from the Gdansk University of Technology. He worked as a post-doc researcher in Ernst-Moritz-Arndt-Universität Greifswald Institut für Physik. He has initiated optical emission imaging of muti-magnetron pulsed plasma and contributed to the development of antibacterial implant coatings deposited by high-power impulse magnetron sputtering. He moved back to...
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Accurate rolling resistance Rolling resistance measurements can be influenced by a number of factors
PublicationTire rolling resistance is one of the most difficult-to-measure parameters of the tire/ pavement interface, especially if road measurements are required. First of all, it is necessary to measure a fairly small force in the system that is heavily loaded by other forces and subjected to many adverse effects causing measurement errors. The second problem is related to the fact that tire rolling resistance depends on many factors,...
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An accurate assignment test for extremely low‐coverage whole‐genome sequence data
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An accurate assignment test for extremely low-coverage whole-genome sequence data
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Accurate and continuous adhesive fracture energy determination using an instrumented wedge test
PublicationThe wedge test and the related double cantilever beam test are practical methods of assessing structural adhesive fracture energy. In the former, and to a lesser extent the latter, a recognised problem is the difficulty of following the length of the growing crack, required to calculate fracture energy with any accuracy. We present a novel method of measurement of crack length that has the advantages of being accurate and allowing...
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Accurate Lightweight Calibration Methods for Mobile Low-Cost Particulate Matter Sensors
PublicationMonitoring air pollution is a critical step towards improving public health, particularly when it comes to identifying the primary air pollutants that can have an impact on human health. Among these pollutants, particulate matter (PM) with a diameter of up to 2.5 μ m (or PM2.5) is of particular concern, making it important to continuously and accurately monitor pollution related to PM. The emergence of mobile low-cost PM sensors...
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Evaluation of accuracy of surrogate models
PublicationArtykuł przestawia statystyczne podejście do oceny dokładności modeli zastępczych. Prezentowana jest miara dokładności bazująca na dystrybucji błędów w zbiorze testowym. Praca zawiera dyskusję na temat oceny dokładności samego modelu oraz zasadności wyboru kryterium zatrzymującego proces automatycznego tworzenia modelu.
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Dimensional accuracy as the optimization criterion
PublicationW pracy zaproponowano nową formułę określania kosztów konstrukcji stalowej. Sformułowano nieliniowe zadanie optymalizacyjne minimalizacji kosztów koordynacyjnych wymiarów montażowych. Przedstawiono transformację problemu w zagadnienie dyskretne oraz zaproponowano rozwiązanie zadania metodami kombinatoryki.
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Doing Well by Doing Good- CSR in a Global Context
PublicationNowadays, there is a general understanding that stakeholders are crucial for the successful enterprise. There is also a need to think about Corporate Social Responsibility (CSR) in a global context. Never before corporations enjoyed so much power and authority. Corporations need to evolve, re-think their strategies and change their processes accordingly. However, as of now, there is no agreed way of measuring overall sustainability...
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Doing well by doing good — CSR in a global context
PublicationMotivation: Nowadays, there is a general understanding that stakeholders are crucial for the successful enterprise. There is also a need to think about Corporate Social Responsibility (CSR) in a global context. Never before corporations enjoyed so much power and authority. Corporations need to evolve, re-think their strategies and change their processes accordingly. However, as of now, there is no agreed way of measuring overall...
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Influence of the Working Strategy on A-Team Performance
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Through the looking-glass of the grazing bifurcation
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PIDE Working Papers
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Working with Older People
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Investigation into Locking Point of Asphalt Mixtures Utilizing Superpave and Marshall Compactors
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Influence of Aggregate Gradation on the Compactability of Asphalt Mixtures Utilizing Locking Point
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Influence of Asphalt Binder on the Compactability of Asphalt Mixtures Using Locking Point
PublicationCompaction is an important process for the asphalt mixture service life. A properly compacted mixture is crucial for long-lasting pavement. The objective of this study was to evaluate the influence of asphalt binders on the compactability of the asphalt mixtures by utilizing the concept of the locking point. To achieve this objective, two compaction methods (impact and gyration), different temperatures and asphalt content, and...
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Docking is not enough: 17-trifluoromethylphenyl trinor PGF2α is only a very weak ligand of neurokinin-1 receptor
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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CCDC151 Mutations Cause Primary Ciliary Dyskinesia by Disruption of the Outer Dynein Arm Docking Complex Formation
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublicationResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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Acceptor doping of barium cerate
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