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Common functionally important motions of the nucleotide‐binding domain of H sp70
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly...
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Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
PublikacjaCritical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Balkan Stock Exchanges – Consideration of the Length of the Estimation Window in Similar Markets
PublikacjaPurpose: We study if capital markets in the Balkan are closely and positively related in terms of rate of return, risk, efficiency, and maximum cumulative loss in relation to different lengths of the estimation window. Design/Methodology/Approach: The research was carried out for the period from 01/01/2017 to 31/12/2019 using portfolio analysis. It was divided into an estimation window (01/01/2019 to 31/12/2019) and another with...
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Au nanostructures coated with a ultrathin film of Al2O3 - measurements and FDTD simulations
Dane BadawczeGold plasmonic platforms have been coated with an ultra-thin films of aluminium oxide. Optical measurements, showing the influence of the thickness of Al2O3 on plasmon resonance position. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of...
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Plaque of Dorothy and John Brandes in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the plaque placed in St. Mary’s Church in Gdańsk, that is dedicated to John Brandes, highly influential citizen of Gdańsk, whose official career was crowned with the function of mayor, and his wife Dorothy née Zimmermann. The plaque was placed in the church in 1586. Data set contains two photos of the plaque,...
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On the Hat Problem on the Cycle C7
PublikacjaThe topic is the hat problem in which each of n players is randomly fitted with a blue or red hat. Then everybody can try to guess simultaneously his own hat color by looking at the hat colors of the other players. The team wins if at least one player guesses his hat color correctly, and no one guesses his hat color wrong; otherwise the team loses. The aim is to maximize the probability of a win. In this version every player can...
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Quadratic stochastic operators on Banach lattices
PublikacjaWe study the convergence of iterates of quadratic stochastic operators that are mean monotonic. They are defined on the convex set of probability measures concentrated on a weakly compact order interval S = [0, f] of a fixed Banach lattice F. We study their regularity and identify the limits of trajectories either as the “infimum” or “supremum” of the support of initial distributions.
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Joanna Bach-Głowińska dr inż. arch.
OsobyI am an architect by education (M.Sc. Arch 1994) and practice (1994-2011), a Town Planner by practice (1999-2017, Ministerial Entitlements 1655/2002), and a Researcher (Ph.D.2012, Postdoctoral Research Fellow at Glasgow School of Art 2013 - 2015, also teaching on Gdansk University of Technology since 2014). I have been the Principal Investigator of Era Net Urban Transformation Capacities EmbedterLabs: Better Embedded Labs for More...
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Tropospheric delays derived from GNSS observations during the derecho event in Poland of 11th August 2017
Dane BadawczePropagation of global navigation satellite systems (GNSS) radio signals is disturbed by the current state of the Earth's atmosphere. For this reason, advances processing of GNSS signals can be used for investigation of the atmospheric condition. In case of troposphere, the GNSS signals allow for obtain information of tropospheric delay, which is mainly...
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Usage of Memi-Markov Process in Operation Evaluation of Diesel Engine
PublikacjaIn paper, the proposition of quantitative evaluation of operation using semi-Markov processes theories has been presented. Basic assumptions, essential for creating mathematical model on example of diesel engine were shown. Special attention was given to practical aspects of using established mathematical model. Example of characteristic of analysed process - temporary distribution of probability was assigned.
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Application of Game Theory to Conflict Management in a Construction Contract
PublikacjaInterest has recently grown in the application of game theory (GT) to solve a number of diverse problems in the field of construction. The use of GT by a general contractor (GC) of construction works to indicate the best strategy leading to winning court proceedings in a situation of conflict with investor (IN), has not been investigated until now. Thus the aim of this paper is to indicate the optimal strategy from the GC viewpoint...
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Novel Investigation of Higher Order Spectral Technologies for Fault Diagnosis of Motor-Based Rotating Machinery
PublikacjaIn the last decade, research centered around the fault diagnosis of rotating machinery using non-contact techniques has been significantly on the rise. For the first time worldwide, innovative techniques for the diagnosis of rotating machinery, based on electrical motors, including generic, nonlinear, higher-order cross-correlations of spectral moduli of the third and fourth order (CCSM3 and CCSM4, respectively), have been comprehensively...
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Three-dimensional mapping for data collected using variable stereo baseline
PublikacjaThe paper describes a system of 3D mapping of data collected with due regard for variable baseline. This solution constitute an extension to a VisRobot sub-system developed as a subsystem, necessary for implementing the generic idea of using mobile robots to explore an indoor static environment. This subsystem is to acquire stereo images, calculate the depth in the images and construct the sought 3D map. Stereo images are obtained...
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Markowitz’s portfolio theory – optimal length of estimation window for gold and the biggests companies on the Warsaw Stock Exchange
PublikacjaThe following article is dedicated to the construction of an investment portfolio consisting of 3 investments from the Polish capital market found in the WIG20 index and from investment in gold. The purpose of the study was to determine the optimal length of the estimation window for building a portfolio with minimal risk and maximum efficiency. The length of the estimation window was also assessed in terms of the rate of return...
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Effect of waviness and roughness components on transverse profiles of turned surfaces
PublikacjaThis paper presents the authors method of simultaneous analysis of roughness and waviness irregularity components, with the aim of better defining the key qualities and characteristics.Periodical surface machining traces may be analyzed spectrally, with the irregularity's peaks and troughs being used to define the wave's amplitude.In this work the standard composition for filtering waviness and roughness components of a surface...
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Selecting wells for an optimal design of groundwater monitoring network based on monitoring priority map: A Kish Island case study
PublikacjaThis paper presents a novel approach, i.e. a combination of gamma test and monitoring priority map, for optimal design of groundwater monitoring network (GMN) by considering the cumulative effects of industries, human activities, and natural factors on the groundwater quality. The proposed method was successfully applied to design an optimal network for groundwater salinity monitoring on Kish Island, Persian Gulf. The priority...
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Application of Multinomial Logistic Regression to Model the Impact of Rainfall Genesis on the Performance of Storm Overflows: Case Study
PublikacjaIn this study, a mathematical model was proposed to analyze the performance of storm overfows. The model included the infuence of rainfall genesis on the duration of storm overfow, its volume, and the maximum instantaneous fow. The multinomial logistic regression model, which has not been used so far to model objects located in a stormwater system, was proposed to simulate the duration of storm overfow. The Iman–Conover method,...
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The finite-difference simulation of x-rays propagation through a system of lenses
PublikacjaThe propagation of X-ray waves through an optical system consisting of 33 aluminum X-ray refractive lenses is considered. For solving the problem, a finite-difference method is suggested and investigated. It is shown that very small steps of the difference grid are necessary for reliable computation of propagation of X-ray waves through the system of lenses. It is shown that the wave phase is a function very quickly increasing...
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Weakly connected Roman domination in graphs
PublikacjaA Roman dominating function on a graph G=(V,E) is defined to be a function f :V → {0,1,2} satisfying the condition that every vertex u for which f(u) = 0 is adjacent to at least one vertex v for which f(v)=2. A dominating set D⊆V is a weakly connected dominating set of G if the graph (V,E∩(D×V)) is connected. We define a weakly connected Roman dominating function on a graph G to be a Roman dominating function such that the set...
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More Just Measure of Fairness for Sharing Network Resources
PublikacjaA more just measure of resource distribution in computer networks is proposed. Classic functions evaluate fairness only “on average”. The proposed new fairness score function ensures that no node is left without resources while on average everything looks good. It is compared with well-known and widely adopted function proposed by Jain, Chiu and Hawe and another one recently proposed fairness function by Chen and Zhang. The function...
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Wyrażanie niepewności za pomocą przedziałów
PublikacjaZ perspektywy dwóch różnych interpretacji prawdopodobieństwa - klasycznej (częstościowej) i subiektywnej (bayesowskiej) oraz propozycji nowego przewodnika ustalającego zasady obliczania i wyrażania niepewności pomiaru (GUM), porównano sposoby komunikowania niepewności za pomocą przedziałów: ufności, bayesowskiego, objęcia, rozszerzenia.
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Epitaph of Ferber family in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to one of the greatest family in Gdańsk – family Ferber, and one of its member – Konstantin Ferber, whose official career was crowned with the function of mayor of city. The epitaph was erected by his brother John Ferber, the juror, councilor...
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Four-state stochastic model of changes in the reliability states of a motor vehicle
PublikacjaThe properties of semi-Markov processes have been generally characterized and the applicability of the theory of such processes to the determining of the reliability of motor cars and other road vehicles has been explained. A formal description of the process of changes in the motor vehicle technical states considered as reliability states and a model of this process in the form of a one-dimensional stochastic process have been...
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Interference aware bluetooth scatternet (re)configuration algorithm IBLUERA
PublikacjaThis paper presents a new algorithm IBLUEREA, which enables reconfiguration of Bluetooth scatternet to reduce interference. IBLUEREA makes use of the complex model comparing ISM environment efficiency. The mechanism envisages the use of the assessment of the probability of successful (unsuccessful) frame transmission in order to take a decision concerning co-existence of technologies which make use of the same ISM band (here Bluetooth...
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IEEE 802.15.4a Impulse Radio Spectrum Shaping by Changes in Pulse Sequence
PublikacjaThis paper presents one of possible techniques of IEEE 802.15.4a ultra-wideband signal spectrum control, based on changes in sequences of transmitted pulses with very short duration time. This technique can reduce probability of mutual interferences between new ultra-wideband and existing narrowband devices, which may be helpful in further studies on allowing UWB transmission in wider range of spectrum in theEuropean Union.
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Reliability of Corroded Stiffened Plate Subjected to Uniaxial Compressive Loading
PublikacjaThe work is focused on the reliability of corroded stiffened plates subjected to compressive uniaxial load based on the progressive collapse approach as stipulated by the Common Structural Rules for Bulk Carriers and Oil Tankers, employing the limit state design. Two different cases have been investigated. In the first model, the corrosion degradation led to uniform thickness loss, whereas the mechanical properties were unchanged,...
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Hydraulics and hydrology 2022
Kursy OnlineFor the purpose of this course we are interested in the engineering aspect of hydrology, or what might call engineering hydrology. From this point of view we are mainly concerned with quantifying amounts of water at various locations as function of time for surface water applications. Solving engineering problems using hydrologic principles.
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Hydraulics and hydrology
Kursy OnlineFor the purpose of this course we are interested in the engineering aspect of hydrology, or what might call engineering hydrology. From this point of view we are mainly concerned with quantifying amounts of water at various locations as function of time for surface water applications. Solving engineering problems using hydrologic principles.
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Rating mathematical models for first-pass of tracer in pCT lung studies
PublikacjaThis paper presents a comparison of model based on the Gauss function and the most commonly used Gamma-variate model in perfusion computed tomography (pCT) lung studies. It also verifies whether used model affects value of blood volume parameter. Three mean concentration-time curves were created from actual pCT measurements: arterial input function, blood vessels in lungs and lung parenchyma. On the basis of these mean curves we...
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Clarke duality for Hamiltonian systems with nonstandard growth
PublikacjaWe consider the existence of periodic solutions to Hamiltonian systems with growth conditions involving G-function. We introduce the notion of symplectic G-function and provide relation for the growth of Hamiltonian in terms of certain constant CG associated to symplectic G-function G. We discuss an optimality of this constant for some special cases. We also provide applications to the Φ-laplacian type systems.
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Complex Root Finding Algorithm Based on Delaunay Triangulation
PublikacjaA simple and flexible algorithm for finding zeros of a complex function is presented. An arbitrary-shaped search region can be considered and a very wide class of functions can be analyzed, including those containing singular points or even branch cuts. The proposed technique is based on sampling the function at nodes of a regular or a self-adaptive mesh and on the analysis of the function sign changes. As a result, a set of candidate points...
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Computing dynamical curlicues
Dane BadawczeA curlicue is a piece-wise linear curve in the complex plane which can be generated by an arbitrary sequence of real numbers u_n. It can be interpreted as a trajectory of a particle in the plane which starts in the origin at time t=0 and moves with a constant velocity, changing its direction at instances t=0,1,2,3,..., where the new direction is given...
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ASSESSMENT OF GOLD AND/OR CRUDE OIL AS INVESTMENTS FOR PORTFOLIO DIVERSIFICATION. A WARSAW STOCK EXCHANGE CASE STUDY
PublikacjaThe purpose of the study is to assess whether the inclusion of investments in gold and/or crude oil improves an investment portfolio consisting of shares of enterprises included in the WIG20 index (traditional invest-ments). All possible combinations of investment portfolios with minimal risk and maximum efficiency were tested. The portfolios were determined based on Markowitz’s portfolio theory. All results were compared...
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Alternative convolution approach to friction in unsteady pipe flow
PublikacjaIn the paper some aspects of the unsteady friction in pipe flow expressed by the convolution are analyzed. This additional term introduced into the motion equation involves the accelerations of fluid occurring in the past and a weighting function. The essence of such approach is to assume the appropriate form of weighting function. However, until now no fully reliable formula for this function has been found. To avoid some inconveniences...
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Supramolecular junctions of the PDA tetramers
Dane BadawczeIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Epitaph of Dorothy and John Brandes in St. Mary's Church in Gdansk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to John Brandes, highly influential citizen of Gdańsk, whose official career was crowned with the function of mayor, and his wife Dorothy née Zimmermann. The epitaph was founded by their family, and especially by their grandson John Speymann,...
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Functional specialisation and economic upgrading in GVCs
Dane BadawczeThe dataset collected for selected Central Eastern European (CEE) countries (CZE, EST, HUN, LVA, LTU, POL, SVK, SVN) contains country-level and sector-level observations for the project implementation linked to the concept of functional specialization of economies. The aim of the project is to identify patterns of functional specialisation in global...
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A high-accuracy complex-phase method of simulating X-ray propagation through a multi-lens system
PublikacjaThe 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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Development of fragility curves in adjacent steel moment-resisting frames considering pounding effects through improved wavelet-based refined damage-sensitive feature
PublikacjaFragility curves present useful information related to earthquake-induced probability assessment of steel moment-resisting frames (MRFs) and determine the probability of the damage exceedance at different floor levels of MRFs. The review of the literature shows that most of the previous studies dealing with the fragility curves were based on conventional measures, such as spectral acceleration at the first mode period, peak...
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Modified Preisach model of hysteresis in multi air gap ferrite core medium frequency transformer
PublikacjaThis article presents the modified Preisach model of hysteresis for a 3-phase medium frequency transformer in a 100 kW dual active bridge converter. The transformer magnetic core is assembled out of ferrite I-cores, which results in multiple parasitic air gaps. For this transformer, the hysteresis loops were measured and parameters of the Preisach model were determined. The Preisach distribution function is approximated with a...
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The Impact of Spatiotemporal Changes in Land Development (1984–2019) on the Increase in the Runoff Coefficient in Erbil, Kurdistan Region of Iraq
PublikacjaNowadays, geospatial techniques are a popular approach for estimating urban flash floods by considering spatiotemporal changes in urban development. In this study, we investigated the impact of Land Use/Land Cover (LULC) changes on the hydrological response of the Erbil basin in the Kurdistan Region of Iraq (KRI). In the studied area, the LULC changes were calculated for 1984, 1994, 2004, 2014 and 2019 using the Digital Elevation...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Donor-substituted SrTi1+xO3−δ anodes for SOFC
PublikacjaNonstoichiometric Nb-substituted SrTiO3 compounds were investigated in order to discuss the influence of nonstoichiometry at the sample properties in the light of recent results reported in the literature. Structural and electrical properties of samples were characterized. Investigated compounds were also applied as anodes for Solid Oxide Fuel Cells and their reactivity with YSZ electrolyte was examined. The defect chemistry explaining...