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Wyniki wyszukiwania dla: dynamika%20molekularna
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublikacjaTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Data fusion of GPS sensors using Particle Kalman Filter for ship dynamic positioning system
PublikacjaDepending on standards and class, dynamically positioned ships make use of different numbers of redundant sensors to determine current ship position. The paper presents a multi-sensor data fusion algorithm for the dynamic positioning system which allows it to record the proper signal from a number of sensors (GPS receivers). In the research, the Particle Kalman Filter with data fusion was used to estimate the position of the vessel....
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublikacjaShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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Numerical Investigation on Dynamic Performance of a Multi-storey Steel Structure Model and Comparison with Experimental Results
PublikacjaShaking table testing is the most commonly adopted method to simulate earthquake forces. This approach allows us to analyze the dynamic performance and provides a valuable insight into the dynamics of building structures, which helps to improve their future safety and reliability. The present study aims to conduct a numerical evaluation of dynamic response of a multi-storey steel structure model, which was previously examined during...
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Assessment of the Positioning Accuracy of DGPS and EGNOS Systems in the Bay of Gdansk using Maritime Dynamic Measurements
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Comparative analysis of positioning accuracy of GNSS receivers of Samsung Galaxy smartphones in marine dynamic measurements
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FE-simulations of dynamic shear localization in granular bodies using an Arbitrary Lagrangian-Eulerian formulation.
PublikacjaW artykule przedstawiono wyniki symulacji lokalizacji odkształceń w materiałach granulowanych. Obliczenia wykonano przy zastosowaniu nielokalnego modelu hipoplastycznego dla 2 różnych problemów: sciskania dwuosiowego i przepływu silosowego. W obliczeniach wykorzystano sformułowanie ALE.
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Application of inserts for suppression of coupled dynamic-acoustic effects during confined granular flow in silos
PublikacjaArtykuł omawia sposoby redukcji efektów dynamiczno-akustycznych w silosach. Do redukcji zastosowano różne wkładki. Zbadano wpływ kształtu i liczby wkładek w doświadczeniach. Na podstawie wyników doświadczalnych opracowano metodę redukcji efektów dynamiczno-akustycznych w dużych stalowych silosach.
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An elasto-plastic constitutive model with non-local softening and viscosity to describe dynamic concrete behaviour.
PublikacjaW artykule zaproponowano model do opisu betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczny z degradacją sztywności i nielokalnym osłabieniem rozszerzony o lepkość. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano z doświadczeniami.
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Developmental Dynamics (Formerly :American Journal of Anatomy 0002-9106)
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Wiktoria Wojnicz dr hab. inż.
OsobyDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) Publikacje z listy MNiSW (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E., Analysis...
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Dynamika kwantowa
Kursy OnlineKurs do przedmiotu "Dynamika kwantowa", zawiera materiały do wykładu.
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Dynamika morza
Kursy OnlineKurs realizowany zgodnie z programem studiów na Wydziale Inżynierii Lądowej i Środowiska (WIJiŚ) Politechniki Gdańskiej. Studia: II stopnia - magisterskie, stacjonarne Kierunek: Budownictwo wodne i morskie
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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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Discrete identification of continuous non-linear and non-stationary dynamical systems that is insensitive to noise correlation and measurement outliers
PublikacjaThe paper uses specific parameter estimation methods to identify the coefficients of continuous-time models represented by linear and non-linear ordinary differential equations. The necessary approximation of such systems in discrete time in the form of utility models is achieved by the use of properly tuned `integrating filters' of the FIR type. The resulting discrete-time descriptions retain the original continuous parameterization...
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Expansion and population dynamics of a non-native invasive species: the 40-year history of American mink colonisation of Poland
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublikacjaCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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Diagnostics of UV Nanosecond Laser Generated Plasma Plume Dynamics in Ambient Air Using Time-Resolved Imaging
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublikacjaAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Investigating the Ischaemic Phase of Skin NADH Fluorescence Dynamics in Recently Diagnosed Primary Hypertension: A Time Series Analysis
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Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublikacjaHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Influence of the Square Wave Voltage on Dynamical Properties of a Flat Voltammetric Electrode in the Time Domain by the Electrochemical Reversible Reaction
PublikacjaIn this article there is a presentation of the analysis of the polarizing voltage shape influencing dynamic properties of voltammetric electrodes when on their surface reversible reaction takes place in the time domain. The electrode polarization with linearly increasing voltage and with a square component, was analyzed. The analysis that were conducted showed that the voltammetric electrode behaves like a first order transducer....
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Dynamics of cutting power during sawing with circular saw blades as an effect of wood properties changes in the cross section
PublikacjaIn the paper the effect of the method calculation upon the cutting power is presented. In computations were used models in which fracture toughness was incorporated. The comparison concerned models as follows: FM-CM – classic model in which the sum of all uncut chip thicknesses of the simultaneously teeth engaged represented the mean uncut chip thickness, FM-FDM – full dynamical model in which besides variable uncut chip thickness...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative 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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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublikacjaIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Rafał Łangowski dr inż.
OsobyDr inż. Rafał Łangowski jest absolwentem Wydziału Elektrotechniki i Automatyki Politechniki Gdańskiej (studia magisterskie ukończył z wyróżnieniem w 2003 roku). W roku 2015 uzyskał stopień doktora nauk technicznych w dyscyplinie automatyka i robotyka. Pracę doktorską pt. "Algorytmy alokacji punktów monitorowania jakości w systemach dystrybucji wody pitnej" obronił z wyróżnieniem na Wydziale Elektrotechniki i Automatyki. W latach...
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Krzysztof Lipiński dr hab. inż.
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VEHICLE SYSTEM DYNAMICS
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MULTIBODY SYSTEM DYNAMICS
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Determination of pseudocapacitance chan ges of nickel oxide NiO electrode with use of dynamic electrochemical impedancje spectroscopy
PublikacjaThe electrochemical capacitors (ECs) are attractive energy storage devices which can be applied in many electronic products (e.g., cameras, laptops, cell phones) or hybrid electric vehicles (HEV). The energy storage in ECs is based on capacitive (the electrical double layer charging/discharging) and pseudocapacitive (additional charge provided by faradic reaction) phenomena. Considering the electrodes exhibiting pseudocapacitance,...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublikacjaSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Determination of the dynamic critical maneuvering area in an encounter between two vessels: Operation with negligible environmental disruption
PublikacjaThis paper introduces the concept of Collision Avoidance Dynamic Critical Area (CADCA) for onboard Decision Support Systems (DSS). The indicator proposed is derived via identification of a minimum required maneuvering zone in an encounter between two vessels. The CADCA model accounts for ship maneuvering dynamics and associated hydrodynamic actions emerging from different rudder angles and forward speed effects. The method presented...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublikacjaIn this article, specific methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublikacjaIn this study, dedicated methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Computational Fluid Dynamic study on the wind characteristics of a multifunctional building system model in developed coastal cities
PublikacjaThis paper presents an approach for providing innovative technology by applying fluid mechanics to the field of architectural design. The aim is to make a building’s shape profitable and strengthen environmental protection by using the wind force to create an integrated wind absorption definition for a multifunctional building system model. Furthermore, taking control of the wind flow over an object can have an impact on not only...
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Stability of softly switched multiregional dynamic output controllers with a static antiwindup filter: A discrete-time case
PublikacjaThis paper addresses the problem of model-based global stability analysis of discrete-time Takagi–Sugeno multiregional dynamic output controllers with static antiwindup filters. The presented analyses are reduced to the problem of a feasibility study of the Linear Matrix Inequalities (LMIs), derived based on Lyapunov stability theory. Two sets of LMIs are considered candidate derived from the classical common quadratic Lyapunov...
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Evaluation of cavitation erosion–corrosion degradation of mild steel by means of dynamic impedance spectroscopy in galvanostatic mode
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Initializing the EM Algorithm for Univariate Gaussian, Multi-Component, Heteroscedastic Mixture Models by Dynamic Programming Partitions
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Determination of the dynamic critical maneuvering area in an encounter between two vessels: Operation with negligible environmental disruption
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New devices to capture the temperature effect under dynamic compression and impact perforation of polymers, application to PMMA
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Prototype of a low-cost luxmeter with wide measuring range designed for railway stations dynamic lighting systems
PublikacjaThe paper presents the development of a low-cost luxmeter designed for usage in automatic applications for continual (long-term) measurement of illuminance. The measured information is used to adjust the level of lighting systems of artificial lighting on railways (platforms, marshalling yard, tracks etc.). The reason of this measuring device is a requirement for massive deployment of dimmable lighting systems for railways, in...
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Adaptive Optimal Discrete-Time Output-Feedback Using an Internal Model Principle and Adaptive Dynamic Programming
PublikacjaIn order to address the output feedback issue for linear discrete-time systems, this work suggests a brand-new adaptive dynamic programming (ADP) technique based on the internal model principle (IMP). The proposed method, termed as IMP-ADP, does not require complete state feedback, merely the measurement of input and output data. More specifically, based on the IMP, the output control problem can first be converted into a stabilization...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Multicast Traffic Throughput Maximization through Dynamic Modulation and Coding Scheme Assignment in Wireless Sensor Networks
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