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Search results for: MOLECULAR-ORBITAL METHODS
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Molecular Medicine Reports
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MOLECULAR BIOLOGY OF THE CELL
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MOLECULAR GENETICS AND GENOMICS
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MOLECULAR CANCER THERAPEUTICS
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MOLECULAR AND BIOCHEMICAL PARASITOLOGY
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TRENDS IN MOLECULAR MEDICINE
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Molecular dynamics simulations of ultraprecision machining of fcc monocrystals
PublicationArtykuł zawiera wyniki wielkoskalowych symulacji dynamiczno-molekularnych ultraprecyzyjnego skrawania monokryształów metali niedeformowalnym narzędziem. Zmiennymi parametrami symulacji były: szybkość i głębokość skrawania, temperatura, orientacja krystalograficzna skrawanego kryształu oraz kształt narzędzia.Analizie poddano zmiany strukturalne w obrabianym materiale.
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Role of electronic correlations in the transport characteristics of molecular junctions
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Molecular factors involved in the development of diabetic foot syndrome.
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Shape resonance of the ethylene anion stabilized in a molecular trap
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An efficient molecular docking using conformational space annealing
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Lipid-protein interactions in membranes: a molecular modelling study
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Reply to “Comment on ‘Molecular Origin of Anticooperativity in Hydrophobic Association'”
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Low-Molecular-Weight Aldehyde Inhibitors of Cathepsin G
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Plasma Treatment as an Unconventional Molecular Magnet Engineering Method
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Molecular diagnosis in type I epithelial ovarian cancer
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Methods of solving the Atkins equation determine shear angle with taking into consideration a modern fracture mechanics
PublicationIn the paper are presented methods of solving nonlinear Atkins equation . The Atkins equation describe shear angle with taking into account properties of material cutting. To solve Atkins equation has been used iterative methods: Newton method and simplified method of simple iteration. Method of simple iteration is presented in the form of Java application.
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublicationThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Comparison of direct and inverse methods of satellite observations downscaling for the coastal zone area
PublicationThe Earth observation satellite imaging systems have known limitations, especially regarding their spatial and temporal resolution. Therefore, approaches which aim to combine data retrieved from sensors of higher temporal and lower spatial resolution with the data characterized by lower temporal but higher spatial resolution are of high interest. This allows for joint utilization of the advantages of both these types of sensors....
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Methods of measurement signal acquisition from the rotational flow meter for frequency analysis
PublicationOne of the simplest and commonly used instruments for measuring the flow of homogeneous substances is the rotational flow meter. The main part of such a device is a rotor (vane or screw) rotating at a speed which is the function of the fluid or gas flow rate. A pulse signal with a frequency proportional to the speed of the rotor is obtained at the sensor output. For measurements in dynamic conditions, a variable interval between...
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A Review of Emotion Recognition Methods Based on Data Acquired via Smartphone Sensors
PublicationIn recent years, emotion recognition algorithms have achieved high efficiency, allowing the development of various affective and affect-aware applications. This advancement has taken place mainly in the environment of personal computers offering the appropriate hardware and sufficient power to process complex data from video, audio, and other channels. However, the increase in computing and communication capabilities of smartphones,...
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Qualitative Data Analysis Methods -Summer 2022
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[NF] Physics research methods Part II
e-Learning Courses{mlang pl} Dyscyplina: nauki fizyczne Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: dr hab. Julien Guthmuller, prof. PG Liczba godzin: 15 Forma zajęć: wykład {mlang} {mlang en} Discipline: physical sciences Obligatory course for 1st-year PhD students Academic teacher: dr hab. Julien Guthmuller, prof. PG Total hours of training: 15 teaching hours Course type: lecture {mlang}
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[NF] Physics research methods. Part III
e-Learning CoursesKurs realizowany wspólnie dla doktorantów szkoły doktorskiej i studiów doktoranckich The course is conducted jointly for PhD students of the doctoral school and doctoral studies Franco Bagnoli, University of Florence, Italy - "Thermodynamics, Statistical Mechanics, and Kinetic Gas Theory https://enauczanie.pg.edu.pl/moodle/course/view.php?id=5259 Course type: lecture Total hours of training (part III): 15 teaching hours
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[NF] Physics research methods. Part II.
e-Learning CoursesKurs realizowany wspólnie dla doktorantów szkoły doktorskiej i studiów doktoranckich The course is conducted jointly for PhD students of the doctoral school and doctoral studies Franco Bagnoli, University of Florence, Italy - "Thermodynamics, Statistical Mechanics, and Kinetic Gas Theory with a computational perspective. https://enauczanie.pg.edu.pl/moodle/course/view.php?id=5259 Course type: lecture Total hours of training...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Evaluation of Machine Learning Methods for the Experimental Classification and Clustering of Higher Education Institutions
PublicationHigher education institutions have a big impact on the future of skills supplied on the labour market. It means that depending on the changes in labour market, higher education institutions are making changes to fields of study or adding new ones to fulfil the demand on labour market. The significant changes on labour market caused by digital transformation, resulted in new jobs and new skills. Because of the necessity of computer...
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RDF dataset profiling - a survey of features, methods, vocabularies and applications
PublicationThe Web of Data, and in particular Linked Data, has seen tremendous growth over the past years. However, reuse and take-up of these rich data sources is often limited and focused on a few well-known and established RDF datasets. This can be partially attributed to the lack of reliable and up-to-date information about the characteristics of available datasets. While RDF datasets vary heavily with respect to the features related...
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Environmental impact of construction. Methods of conscious shaping architecture in terms of ecological solutions
PublicationShaping an ecologically conscious society is a process that also affects architecture. Currently, designers are eagerly looking for solutions that are beneficial in terms of carbon footprint. For the proper multi-criteria assessment and selection of adequate solutions, it is necessary to use appropriate tools such as, for example, the Life Cycle Assessment (LCA) method or the rules of ecological certification (BREEAM and LEED)....
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Virulence, antifungal susceptibility and molecular mechanisms of echinocandin resistance among Candida isolates recovered from clinical specimens
PublicationFungi of the genus Candida belong to the natural microflora of healthy individuals. However, they can also be a cause of opportunistic infections especially among patients with an impaired immune system. The first line therapy of Candida infections is based on triazoles. However, in recent years there an increase of azole resistant Candida spp., in particular C. glabrata and C. krusei, has been observed. For this reason, echinocandin...
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Anomaly Detection in Railway Sensor Data Environments: State-of-the-Art Methods and Empirical Performance Evaluation
PublicationTo date, significant progress has been made in the field of railway anomaly detection using technologies such as real-time data analytics, the Internet of Things, and machine learning. As technology continues to evolve, the ability to detect and respond to anomalies in railway systems is once again in the spotlight. However, railway anomaly detection faces challenges related to the vast infrastructure, dynamic conditions, aging...
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A Set of Low-power Microcontroller-based Modules Used for Testing of Small Energy Measurement Methods
PublicationEstimation of energy consumption of low-power devices is not widely discussed in the scientific literature, but this topic is getting more and more popular. Evaluation process of newly developed methods and instrumentation requires carefull treatment. In order to fulfill this niche, the set of micro-power microcontroller based devices was proposed. The devices represent typical energy consuption profiles and allow experimental verification...
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COMMUNICATIONS IN STATISTICS-THEORY AND METHODS
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COMMUNICATIONS IN NUMERICAL METHODS IN ENGINEERING
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Computational Methods and Function Theory
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Computational and Mathematical Methods in Medicine
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COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
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Computational Methods in Science and Technology
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Computer Methods in Materials Science
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Communications for Statistical Applications and Methods
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International Journal of Qualitative Methods
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Computational Methods for Differential Equations
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FORMAL METHODS IN SYSTEM DESIGN
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Analytic Methods in Accident Research
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Computational Methods in Applied Mathematics
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Journal of Analytical Methods in Chemistry
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JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS
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Human Gene Therapy Methods
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Radiation Detection Technology and Methods
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Monte Carlo Methods and Applications
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