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Search results for: AMBIGUOUS RESTRAINTS, COARSE-GRAINED MODELS, NMR-ASSISTED PROTEIN-STRUCTURE MODELING, UNRES
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublicationThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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A hierarchical porous composite magnetic sorbent of reduced graphene oxide embedded in polyvinyl alcohol cryogel for solvent‐assisted‐solid phase extraction of polycyclic aromatic hydrocarbons
PublicationA hierarchical porouscomposite magnetic sorbent was fabricated and applied tothe dispersive solvent-assisted solid-phase extraction of five polycyclic aromatichydrocarbons. A sorbent was first prepared by incorporating graphene oxide,calcium carbonate, and magnetite nanoparticles into a polyvinyl alcohol cryo-gel. The graphene oxide was converted to reduced graphene oxide using ascorbicacid and a hierarchical porous structure was...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublicationNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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Building Information Modeling in Small and Middle Sized Buildings – Case Study
PublicationBuilding Information Modeling (BIM) is a technology designed to improve and integrate all engineering aspects in the construction design process. Tools that incorporate the idea of BIM are becoming more advanced and also more popular. Available software solutions have already reached an assumable high level of development, but still are not as widespread and used on nearly as many construction projects as could be expected. Therefore...
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Changes in the structure of Armenia’s labour resources between 1993 and 2020
PublicationThe article characterises the structure of Armenia’s labour resources in the period between1993 and 2020. It aims to assess the changes on the Armenian labour market by means of a deductive analysis of historical data and observation of changes in the structure of resources based on generally available macroeconomic data. The authors evaluate these processes against the background of demographic and economic changes, by presenting...
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Monocyte Chemoattractant Protein-Induced Protein 1 (MCPIP1) Enhances Angiogenic and Cardiomyogenic Potential of Murine Bone Marrow-Derived Mesenchymal Stem Cells
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Optical method supported by machine learning for dynamics of C‐reactive protein concentrations changes detection in biological matrix samples
PublicationIn this article we present the novel spectroscopy method supported with machine learning for real-time detection of infectious agents in wastewater. In the case of infectious diseases, wastewater monitoring can be used to detect the presence of inflammation biomarkers, such as the proposed C-reactive protein, for monitoring inflammatory conditions and mass screening during epidemics for early detection in communities of concern,...
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Application of mechanistic and data-driven models for nitrogen removal in wastewater treatment systems
PublicationIn this dissertation, the application of mechanistic and data-driven models in nitrogen removal systems including nitrification and deammonification processes was evaluated. In particular, the influential parameters on the activity of the Nitrospira activity were assessed using response surface methodology (RSM). Various long-term biomass washout experiments were operated in two parallel sequencing batch reactor (SBR) with a different...
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Accurate Modeling of Frequency Selective Surfaces Using Fully-Connected Regression Model with Automated Architecture Determination and Parameter Selection Based on Bayesian Optimization
PublicationSurrogate modeling has become an important tool in the design of high-frequency structures. Although full-wave electromagnetic (EM) simulation tools provide an accurate account for the circuit characteristics and performance, they entail considerable computational expenditures. Replacing EM analysis by fast surrogates provides a way to accelerate the design procedures. Unfortunately, modeling of microwave passives is a challenging...
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Multiobjective Aerodynamic Optimization by Variable-Fidelity Models and Response Surface Surrogates
PublicationA computationally efficient procedure for multiobjective design optimization with variable-fidelity models and response surface surrogates is presented. The proposed approach uses the multiobjective evolutionary algorithm that works with a fast surrogate model, obtained with kriging interpolation of the low-fidelity model data enhanced by space-mapping correction exploiting a few high-fidelity training points. The initial Pareto...
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Within- and between-person factor structure of the Oldenburg Burnout Inventory: Analysis of a diary study using multilevel confirmatory factor analysis
PublicationThe study examined the factor structure of burnout, as measured with the Oldenburg Burnout Inventory. The participants were 235 employees of a public administration agency who assessed their burnout online for 10 consecutive working days. Two models were tested with multilevel confirmatory factor analysis, assuming the same one or two-factor structure at the within- and between-person levels. Both models showed a reasonable fit...
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Isolation and structure elucidation of phenolic compounds from Cyclopiasubternata Vogel (honeybush) intact plant and in vitro cultures
PublicationZ materiału roślinnego i hodowli tkankowych Cyclopia subternata Vogel (miodokrzew) wyizolowano i zidentyfikowano matodami NMR i MS 10 związków. m.in. z grupy flawonów i glikozydów izoflawonów. 6 z nich po raz pierwszy wykryto w tym gatunku roślin.
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Nonlocal models Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
ProjectsProject realized in Department of Mechanics of Materials and Structures according to 00000000000 agreement from 2019-10-01
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Structure of the SME sector by economy sectors in Poland and the EU-28
Open Research DataEurostat data show that almost 75% of SMEs in Poland are trade and services, and every seventh enterprise conducts activities related to construction, and every eight - in industry. Comparing the industry structure of Polish companies with the structure of enterprises operating in EU countries, it should be noted that we are characterized by a greater...
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Organic Acids and Polyphenols Determination in Polish Wines by Ultrasound-Assisted Solvent Extraction of Porous Membrane-Packed Liquid Samples
PublicationIn the near future, Poland is going to have more and more favorable conditions for viticulture. Organic acids and polyphenols are among the most commonly analyzed compounds due to their beneficial properties for human health and their importance in the winemaking process. In this work, a new technique involving ultrasound-assisted solvent extraction of porous membrane-packed liquid samples (UASE-PMLS) was for the first time described...
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Nonlinear finite element modeling of vibration control of plane rod-type structural members with integrated piezoelectric patches
PublicationThis paper addresses modeling and finite element analysis of the transient large-amplitude vibration response of thin rod-type structures (e.g., plane curved beams, arches, ring shells) and its control by integrated piezoelectric layers. A geometrically nonlinear finite beam element for the analysis of piezolaminated structures is developed that is based on the Bernoulli hypothesis and the assumptions of small strains and finite...
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Modification of Selected Propagation Models in Terms of Path Loss Estimation in Container Terminal
PublicationIt is particularly important to look for any propagation model that could be useful for designing mobile radio networks in container terminal environment. Selected propagation models have been investigated. Firstly - basing on measurements results - they have been evaluated in this scope and the analysis has shown, that the adjustment is needed. This modification improved significantly the accuracy of path loss modelling. For the...
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Resonance Frequency Calculation of Spherical Microstrip Structure Using Hybrid Technique
PublicationIn this paper the spherical microstrip structure is considered. The structure is composed of a metallic patch with an arbitrary shape placed on a dielectric coated metallic sphere. In the analysis the hybrid technique is utilized. In this approach the finite-difference technique is applied in a cavity model to determine the current basis functions on the patch. Next, using method of moments, the resonance frequency of the structure...
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Nonlinear Modeling in Time Domain Numerical Analysis of Stringed Instrument Dynamics
PublicationMusical instruments are very various in terms of sound quality with their timbre shaped by materials and geometry. Materials' impact is commonly treated as dominant one by musicians, while it is unclear whether it is true or not. The research proposed in the study focuses on determining influence of both these factors on sound quality based on their impact on harmonic composition. Numerical approach has been chosen to allowed independent...
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Sea bottom structure investigation by means of acoustic methods
PublicationThe main aim of the paper is the result of experimental investigations of the seabed in the Gulf of Gdańsk arried out using parametric echosounder as a main measuring tool. Examination of the surface's upper layer of the seabed, especially is acoustic properties, reflecting most often transsmision and reflection properties of the incident elastic wave, could be a valuable material for determination of the stratification, and the...
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Understanding the Ukrainian Migrants Challenges in the EU: A Topic Modeling Approach
PublicationConfronted with the aggression against Ukraine in 2022, Europe faces one of the most important humanitarian challenges - the migration of war refugees from Ukraine, most of them women with children and the elderly. Both international institutions such as the European Union and the United Nations, but also national governments and, above all, local governments, which are the main providers of services and resources for refugees,...
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Simulation of fluid structure interaction in a novel design of high pressure axial piston hydraulic pump
PublicationA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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ALLYING SYSTEM THINKING AND SET OF EXPERIENCE KNOWLEDGE STRUCTURE
PublicationThe approach of system thinking is completely different from traditional forms of analysis. Even the ancient meaning of word analysis is “a breaking up”. Set of Experience Knowledge Structure is an atomic record of decision event that can be grouped together and form some form of decision DNA of an organization. The question that this paper is trying to answer in how those concepts can be merged.
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Selection of AHI + SC Hybrid Storage Based on Mathematical Models and Load Variation Characteristics
PublicationThe article deals with the design of a hybrid storage consisting of Aqueous Hybrid Ion battery (AHI) and supercapacitor (SC) modules. The selection of components is based on the knowledge of the load profile of the storage and the AHI battery and supercapacitor models. The paper presents the method of selecting components of the storage made of AHI batteries and supercapacitor modules The article includes an example of the hybrid...
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublicationIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
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Impact of trajectory simplification methods on modeling carbon dioxide emissions from ships
PublicationModels of ship fuel consumption and emissions play an essential role in estimating global shipping’s greenhouse gas emissions. They are also widely used for verification of reported CO2 emissions for systems like EU MRV (Monitoring, Reporting and Verification) or IMO DCS (Data Collection System). Such models achieve high accuracy using historical spatiotemporal information about each ship from AIS data. However, this approach requires substantial...
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Rapid multi-objective optimization of antennas using nested kriging surrogates and single-fidelity EM simulation models
PublicationEver increasing performance requirements make the design of contemporary antenna systems a complex and multi-stage process. One of the challenges, pertinent to the emerging application areas but also some of the recent trends (miniaturization, demands for multi-functionality, etc.), is the necessity of handling several performance figures such as impedance matching, gain, or axial ratio, often over multiple frequency bands. The...
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Parametrized Local Reduced-Order Models With Compressed Projection Basis for Fast Parameter-Dependent Finite-Element Analysis
PublicationThis paper proposes an automated parametric local model-order reduction scheme for the expedited design of microwave devices using the full-wave finite-element method (FEM). The approach proposed here results in parameterized reduced-order models (ROMs) that account for the geometry and material variation in the selected subregion of the structure. In each subregion, a parameter-dependent projection basis is generated by concatenating...
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STRUCTURE AND ALGORITHMS OF A DIAGNOSTIC DEVICE IN A WHEELED TRACTOR
PublicationDiagnostic device monitors the tractor’s technical condition and identifies the location of damaged components during operation. The diagnostic device detects and identifies the following types of defects: functional defects (uf) which affect performance, exhaust defects (ue) which increase toxic emissions and fuel consumption, defects that jeopardize driving safety (us), defects that affect engine performance (ud). The key component...
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Verification of algorithms determining wave loads on support structure of wind turbine
PublicationThe offshore wind turbines require determination of wave loads on their support structure. This structure is fixed and, therefore, this problem is reduced to solving only the diffraction problem, which is determined by Laplace equation and conditions on the following boundaries: on the support structure, on the sea free surface and on its bottom, and at infinity on free surface. The linear problem was applied to determine the wave...
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Dynamic Modeling of COVID-19 Disease with Impact of Lockdown in Pakistan and Malaysia
PublicationBeing researchers, it is an utmost responsibility to provide insight on social issues thus, this work addresses the dynamic modeling of first and most contagious disease named as COVID-19 caused by coronavirus. The first case of COVID-19 appeared in Pakistan was on 26th February 2020 and in Malaysia on 27th February 2020; both patients had foreign travel history. In the paper, the number of total affected cases and total deaths...
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Empirical verification in industrial conditions of fracture mechanics models of cutting power prediction
PublicationA comparison of experimental results obtained in the industrial conditions at a sawmill located in the Baltic Natural Forest Region (PL) and theoretical cutting power consumption forecasted with the models which include work of separation (fracture toughness) in addition to plasticity and friction has been described. In computations of cutting power consumption during rip sawing of Scots pine wood (Pinus sylvestris L.) values of...
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Can we rely on the pulse transit time - pressure relationship - models comparison
PublicationAn unobtrusive, noninvasive and continuous pressure measurement is invaluable however, still being under research and development. There are many attempts proposing an appropriate relationship between pulse pressure velocity and pressure. Fifteen different formulas, both theoretical and experimental, describing relation between blood pressure and crosssectional area of the vessel were examined. Using these formulas the relation...
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The surface of a fragment of the structure of an integrated circuit in the semi-contact mode.
Open Research DataThe surface of a fragment of the structure of an integrated circuit. Topographic measurements in the semi-contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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Improving the Accuracy of Automatic Reconstruction of 3D Complex Buildings Models from Airborne Lidar Point Clouds
PublicationDue to high requirements of variety of 3D spatial data applications with respect to data amount and quality, automatized, effcient and reliable data acquisition and preprocessing methods are needed. The use of photogrammetry techniques—as well as the light detection and ranging (LiDAR) automatic scanners—are among attractive solutions. However, measurement data are in the form of unorganized point clouds, usually requiring transformation...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublicationFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublicationAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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The Performance of ASON/GMPLS Network with Hierarchical Control Plane Structure
PublicationThe paper regards the problem of ASON/GMPLS network performance with hierarchical control plane structure in condition of incomplete domain network information. The authors propose the hierarchical ASON/GMPLS control plane architecture, which fulfills the requirements of modern optical networks and allows to control the multidomain network with requirement quality of service. The authors examine the scalability and properties of...
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Two- and three-dimensional elastic networks with rigid junctions: modeling within the theory of micropolar shells and solids
PublicationFor two- and three-dimensional elastic structures made of families of flexible elastic fibers undergoing finite deformations, we propose homogenized models within the micropolar elasticity. Here we restrict ourselves to networks with rigid connections between fibers. In other words, we assume that the fibers keep their orthogonality during deformation. Starting from a fiber as the basic structured element modeled by the Cosserat...
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
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Subsoil degradation effect in reliability analysis of the jack-up platform structure
PublicationStructural reliability analysis is considered, by FORM and SORM applied to a certain idealized soil-platform structure interaction problem due to cyclic water wave and wind loads. Wave and wind loads are random variables, whereas dead load is deterministic. Load parameters are typical for storm conditions in the Baltic Sea. The soil-structure interaction is idealized as a set of linear translational and rotational springs. Due...
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Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids’ Quantitative Toxicity–Toxicity Relationship Models
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Modeling Methodologies for the Environment EE Msc sem. II r.a. 23/24
e-Learning CoursesZrozumienie procesów które mają wpływ na migrację i przemiany zanieczyszczeń w środowisku (ze szczególnym uwzględnieniem wód powierzchniowych). Zajęcia dotyczą podstaw i zasad budowy modeli jakości wody oraz służą pokazaniu jak te modele mogą być wykorzystywane do rozwiązywania problemów w inżynierii środowiska.
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Identification and molecular modeling of a novel lipase from an Antarctic soil metagenomic library.
PublicationIn this work, we present the construction of a metagenomic library in Escherichia coli using pUC19 vector and environmental DNA directly isolated from Antarctic topsoil and screened for lipolytic enzymes. The screening on agar supplemented with olive oil and rhodamine B revealed one clone with lipolytic activity (Lip1) out of 11,000 E. coli clones. This clone harbored a plasmid, pLip1, which has an insert of 4722 bp that has been...
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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The Structure of Entrepreneurial Team Members’ Competencies: Between Effectuation and Causation
PublicationA conscious shaping of entrepreneurial competence is a relevant element of entrepreneurial education. In order to recognize which of the competencies regarded as entrepreneurial are characteristic of members of entrepreneurial teams, which is crucial for the work of those teams, it is necessary to identify the structure of those competencies. This quantitative study was conducted with the use of a survey method and involved 111...
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Achieving Efficient and Stable Deammonification at Low Temperatures—Experimental and Modeling Studies
PublicationThe short-term effects of temperature on deammonification sludge were evaluated in a laboratory-scale sequencing batch reactor (SBR). Mathematical modeling was used for further evaluations of different intermittent aeration strategies for achieving high and stable deammonification performance at decreasing temperatures. As for the biomass cultivated at high temperatures (e.g., 30 C), a higher temperature dependency (the adjusted...
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Extraction and Analysis of Bisphenols and Their Derivatives in Infant and Toddler Ready-to-feed Meals by Ultrasound-assisted Membrane Extraction Followed by LC MS/MS
PublicationThis research developed an ultrasound-assisted membrane extraction coupled with liquid chromatography-tandem mass spectrometry method for the determination of nineteen bisphenols and their derivatives in infant and toddler ready-to-feed meals. The calibration curves for all analytes were linear in the tested range, and the limit of detection and limit of quantitation were in the range 0.27 to 0.79 ng/g and 0.80 to 2.4 ng/g, respectively....
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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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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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