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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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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Impact of Feature Selection Methods on the Predictive Performance of Software Defect Prediction Models: An Extensive Empirical Study
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Comparative Analysis of MicroRNA-Target Gene Interaction Prediction Algorithms Based on Integrated P-Value Calculation
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Solubility of sulfanilamide in binary solvents containing water: Measurements and prediction using Buchowski-Ksiazczak solubility model
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Comparative Analysis of microRNA-Target Gene Interaction Prediction Algorithms - The Attempt to Compare the Results of Three Algorithms
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Experimental investigations and prediction of WEDMed surface of nitinol SMA using SinGAN and DenseNet deep learning model
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Plasma Amino Acids May Improve Prediction Accuracy of Cerebral Vasospasm after Aneurysmal Subarachnoid Haemorrhage
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Model Based Monitoring of Dynamic Loads and Remaining Useful Life Prediction in Rolling Mills and Heavy Machinery
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Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
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Temperature-Based Prediction of Joint Hardness in TIG Welding of Inconel 600, 625 and 718 Nickel Superalloys
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Nonlinear FEM 2D failure onset prediction of composite shells based on 6-parameter shell theory
PublikacjaWithin the framework of the nonlinear 6-parameter shell theory with the drilling rotation and asymmetric stress measures, the modifications of Tsai-Wu and Hashin laminate failure initiation criteria are proposed. These improvements enable to perform first ply failure estimations taking into account the non-symmetric stress measures. In order to check the validity of the proposed criteria, finite element analyses are performed with...
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Comparison of selected parametric methods for prediction of inland waterways ship hull resistance in towing tank test
PublikacjaIn the paper selected approximate methods for calculation of inland waterways ship resistance and their verification by towing tests, compared on the example of a small urban ferry, are presented. The test results are made for both the bare hull and the hull with appendages (skeg, azimuthal propeller). Significant differences between results of the theoretical methods and experimental ones, especially in the case of the model with...
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Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublikacjaThe work is devoted to the implementation of a monitoring system for high performance concrete embedded in the span of an extradosed bridge deck using a modified maturity method augmented by numerical simulations conducted by the authors’ FEM code. The paper presents all research stages of bridge construction and considers the conclusions drawn from the results of laboratory tests, field measurements, and numerical calculations....
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Prediction of Wastewater Quality at a Wastewater Treatment Plant Inlet Using a System Based on Machine Learning Methods
PublikacjaOne of the important factors determining the biochemical processes in bioreactors is the quality of the wastewater inflow to the wastewater treatment plant (WWTP). Information on the quality of wastewater, sufficiently in advance, makes it possible to properly select bioreactor settings to obtain optimal process conditions. This paper presents the use of classification models to predict the variability of wastewater quality at...
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Compatibility of Crude Oil Blends─Processing Issues Related to Asphaltene Precipitation, Methods of Instability Prediction─A Review
PublikacjaProcessing crude oil of variable composition, especially due to the need to process crude oil blends obtained from various sources, presents a tremendous process challenge. This is mainly due to the destabilization of the colloidal system manifested mostly by the precipitation of the asphaltene fraction. The precipitation of asphaltenes from crude oil is a serious problem during extraction, transport, and processing. In the latter...
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Quantitative Soil Characterization for Biochar–Cd Adsorption: Machine Learning Prediction Models for Cd Transformation and Immobilization
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublikacjaThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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Verification of the theoretical methods for the prediction of resistance of sailing yachts based on model test results of a yacht V.O.60
PublikacjaWeryfikacja opiera się głównie na serii systematycznych badań modelowych wykonanych w roku 2001 w Laboratorium Hydromechaniki Okrętu WOIO PG. Zademonstrowano prognozy oporu jachtu wykonane trzema metodami z oszacowaniem i dyskusją rozbieżności wyników. Przeprowadzone badania są zorientowane na opracowanie wiarygodnego programu komputerowego dla prognozowania prędkości i innych parametrów ruchu żaglowych, regatowych jachtów oceanicznych...
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Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublikacjaIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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An ANN-Based Approach for Prediction of Sufficient Seismic Gap between Adjacent Buildings Prone to Earthquake-Induced Pounding
PublikacjaEarthquake-induced structural pounding may cause major damages to structures, and therefore it should be prevented. This study is focused on using an artificial neural network (ANN) method to determine the sufficient seismic gap in order to avoid collisions between two adjacent buildings during seismic excitations. Six lumped mass models of structures with a different number of stories (from one to six) have been considered in...
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Exergy and Energy Analyses of Microwave Dryer for Cantaloupe Slice and Prediction of Thermodynamic Parameters Using ANN and ANFIS Algorithms
PublikacjaThe study targeted towards drying of cantaloupe slices with various thicknesses in a microwave dryer. The experiments were carried out at three microwave powers of 180, 360, and 540 W and three thicknesses of 2, 4, and 6 mm for cantaloupe drying, and the weight variations were determined. Artificial neural networks (ANN) and adaptive neuro-fuzzy inference systems (ANFIS) were exploited to investigate energy and exergy indices of...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
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Prediction of near-bottom water salinity in the Baltic Sea using Ordinary Least Squares and Geographically Weighted Regression models
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Deep Learning-based Recalibration of the CUETO and EORTC Prediction Tools for Recurrence and Progression of Non–muscle-invasive Bladder Cancer
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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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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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Machine Learning- and Artificial Intelligence-Derived Prediction for Home Smart Energy Systems with PV Installation and Battery Energy Storage
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Prediction of Ship Resonant Rolling - Related Dangerous Zones with Regard to the Equivalent Metacentric Height Governing Natural Frequency of Roll
PublikacjaPotentially dangerous zones corresponding to dynamical stability phenomena, possibly encountered by ships sailing in rough sea, are estimated nowadays with the use of the method recommended by IMO in the guidance coded MSC.1/Circ.1228. In this IMO method the parameter governing the natural period of roll is the initial metacentric height. Some earlier studies revealed that the initial metacentric height...
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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
PublikacjaThe genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel...
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Fracture prediction in flat PMMA notched specimens under tension - effectiveness of the equivalent material concept and fictitious material concept
PublikacjaThe fracture of notched elements under mode I loading (tension) remains an inexhaustible research topic, especially when it comes to the fracture of thermoplastic materials such as polymethylmethacrylate (PMMA), which experience considerable plastic strains under tension. The paper points out that traditional brittle fracture criteria such as mean stress (MS) or maximum tangential stress (MTS) criteria used to predict this phenomenon do...
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How to achieve sustainability?-Employee's point of view on company's culture and CSR practice
PublikacjaThe people are the company. This study aims to examine the structure of relationships between company culture, performance, corporate social responsibility (CSR), and reputation, as seen from the employee's perspective, to determine which company culture factors most influence CSR practice and, as a result, sustain a company's development and improve its performance. To accomplish this goal, we conducted a survey among employees...
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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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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
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Teicoplanin-Modified HPLC Column as a Source of Experimental Parameters for Prediction of the Anticonvulsant Activity of 1,2,4-Triazole-3-Thiones by the Regression Models
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Prediction of skin color, tanning and freckling from DNA in Polish population: linear regression, random forest and neural network approaches
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Trends in In Silico Approaches to the Prediction of Biologically Active Peptides in Meat and Meat Products as an Important Factor for Preventing Food-Related Chronic Diseases
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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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Validation study on a new semi-empirical method for the prediction of added resistance in waves of arbitrary heading in analyzing ship speed trial results
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Modelowanie przepływu wód podziemnych w strefie brzegowej morza - możliwości prognozowania = Groundwater flow modeling in the coastline area - prediction possibilities
PublikacjaSpecyficzne warunki występowania wód podziemnych w strefie brzegowej morza sprawiają, że ich eksploatacja jest sprawą złożoną i powinna być weryfikowana na modelu numerycznym. Zasadniczym zagrożeniem jest ingresja słonych wód morskich, która może być wzbudzona eksploatacją. Innym czynnikiem, który może przyczynić się do ingresji wód słonych do warstwy wodonośnej może być podniesienie się poziomu morza. W pracy przedstawiono wyniki...
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Prediction of maximum tensile stress in plain-weave composite laminates with interacting holes via stacked machine learning algorithms: A comparative study
PublikacjaPlain weave composite is a long-lasting type of fabric composite that is stable enough when being handled. Open-hole composites have been widely used in industry, though they have weak structural performance and complex design processes. An extensive number of material/geometry parameters have been utilized for designing these composites, thereby an efficient computational tool is essential for that purpose. Different Machine Learning...
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Reversed-phase and normal-phase thin-layer chromatography and their application to the lipophilicity prediction of synthetic pyrethroids based on quantitative structure–retention relationships
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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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Potential of Serum Proteome Patterns Analysis by MALDI-TOF Mass Spectrometry for Prediction of Acute Radiation Injury Response in Head and Neck Cancers Patients
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