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Search results for: Atomic Force Microscope
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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13
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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Solid-State Dewetting as a Driving Force for Structural Transformation and Magnetization Reversal Mechniasm in FePd Thin Films
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The estimation of cutting forces and specific force coefficients during finishing ball end milling of inclined surfaces
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Effect of mean grain diameter on vortices, force chains and local volume changes in granular shear zones
PublicationW artykule pokazano rozwój różnych zjawisk mikrostrukturalnych na poziomie ziarna materiału granulowanego podczas parcia pasywnego piasku na sztywną ściankę przemieszczającą się poziomo. Obliczenia wykonano stosując metodę DEM. Wyniki na poziomie globalnym porównano z wynikami MES. Szczególna uwagę zwrócono na rozwój wirów i łańcuchów sił miedzy ziarnami.
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Solid phase extraction and sequential elution for pre-concentration of traces of Mn and Zn in analysis of honey by flame atomic absorption spectrometry
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Element analysis of bee-collected pollen and bee bread by atomic and mass spectrometry – Methodological development in addition to environmental and nutritional aspects
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Molecularly imprinted stir bar sorptive extraction coupled with atomic absorption spectrometry for trace analysis of copper in drinking water samples
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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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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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 3. Use of Many Proteins in Optimization
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Investigating the combined impact of plasticizer and shear force on the efficiency of low temperature reclaiming of ground tire rubber (GTR)
PublicationIn the present work, ground tire rubber (GTR) was mechano-chemically reclaimed at ambient temperature using two-roll mills. Road bitumen and styrene-butadiene-styrene (SBS)-modified bitumen at variable content (in range: 2.5–20 phr) were applied as reactive plasticizers to enhance reclaiming of GTR. For better understanding the plasticizing effect of bitumen on the quality of obtained reclaimed rubber, mechano-chemically reclaimed...
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Contact force network evolution in active earth pressure state of granular materials: photo‑elastic tests and DEM
PublicationArtykuł omawia ewolucję sieci sił kontaktowych w materiałach granulowanych podczas quasi-statycznego stanu aktywnego. Doświadczenia foto sprężyste zostały wykonane dla kulek szklanych. Doświadczenia zostały symulowane stosując metodę elementów dyskretnych (DEM). Model DEM prawidłowo przewidział strukturę sił kontaktowych i ich wielkość, lokalizację odkształceń oraz obszary zmian fazowych.
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Solid phase extraction with flame atomic absorption spectrometry for determination of traces of Ca, K, Mg and Na in quality control of white sugar
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Determination of methylcyclopentadienyl-manganese tricarbonyl in gasoline and water via ionic-liquid headspace single drop microextraction and electrothermal atomic absorption spectrometry
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Magnetic Molecularly Imprinted Polymer Nanoparticles for Selective Extraction of Copper from Aqueous Solutions Prior to Its Flame Atomic Absorption Determination
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Magnetic molecularly imprinted polymer nanoparticles for selective extraction of copper from aqueous solutions prior to its flame atomic absorption determination
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Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
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Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
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Prediction of Stress and Deformation Caused by Magnetic Attraction Force in Modulation Elements in a Magnetically Geared Machine Using Subdomain Modeling
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Coupled evolution of preferential paths for force and damage in the pre-failure regime in disordered and heterogeneous, quasi-brittle granular materials.
PublicationMetoda elementów dyskretnych (DEM) została wykorzystana do symulacji betonu poddanego jednoosiowemu rozciąganiu. Beton modelowano jako materiał losową heterogeniczy 2/3-fazowy, złożony z cząstek kruszywa, matrycy cementowej i stref przejściowych międzyfazowej. Odkryto dowody na zoptymalizowaną transmisję siły, scharakteryzowaną przez dwa nowe wzorce, które przewidują i wyjaśniają sprzężoną ewolucję ścieżki siły i uszkodzenia od...
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Designing Atomic Resonance Conditions for $^{93m}$Mo Isomer Depletion Via Nuclear Excitation by Electron Capture in a Beam-based Scenario for Selected Targets
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Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field
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Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 2. Off-Lattice Tests of the Method with Single Proteins
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High-Performance Face Milling of 42CrMo4 Steel: Influence of Entering Angle on the Measured Surface Roughness, Cutting Force and Vibration Amplitude
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Report no: WOiO /II/46/2015 - Construction node verification test, estimation of breaking load (shear force) and destruction form
PublicationA new generation of tanks for LNG transportation has been designed. Mass reduction forced our customer to use three different materials: austenitic steel, aluminium alloy and LNG compressed wood between them. The expertise concerns structural node between tank foundation and suspension. Expertise contains: description of object of test, test principals, results and conclusions
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$^{93m}$Mo Isomer Depletion via Nuclear Excitation by Electron Capture: Energy Released for Different Atomic Subshells as Benchmarks for a Beam-based Scenario Approach
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 1. Tests of the Approach Using Simple Lattice Protein Models
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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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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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Comparative study of donor-induced quantum dots in Si nano-channels by single-electron transport characterization and Kelvin probe force microscopy
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Thermal cooling process by nanofluid flowing near stagnating point of expanding surface under induced magnetism force: A computational case study
PublicationThis paper is dedicated to the exam of entropy age and research of the effect of mixing nanosolid additives over an extending sheet. In this review, Newtonian nanofluid version turned into researched at the actuated appealing field, heat radiation and variable heat conductivity results. With becoming modifications, the proven PDEs are moved into popular differential situations and paintings mathematically making use of a specific...
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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Analysis of Cutting Force and Power Under the Conditions of Minimized Cooling in the Process of Turning AISI-1045 Steel with the Use of the Parameter Space Investigation Method
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2007 Guidelines for the management of arterial hypertension: The Task Force for the Management of Arterial Hypertension of the European Society of Hypertension (ESH) and of the European Society of Cardiology (ESC)
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Interference-Free Determination of Trace Copper in Freshly Ripened Honeys by Flame Atomic Absorption Spectrometry Following a Preconcentration by Solid-Phase Extraction and a Two-Step Elution Process
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
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A Hierarchical Multiscale Approach to Protein Structure Prediction: Production of Low‐Resolution Packing Arrangements of Helices and Refinement of the Best Models with a United‐Residue Force Field
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