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Wyniki wyszukiwania dla: ENERGY OF BINDING
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Obtaining ionic forces by the total-energy tight-binding method
PublikacjaZastosowanie metody ciasnego wiązania w sformułowaniu nieortogonalnym do obliczania sił atomowych w symulacji metodą dynamiki molekularnej pozwala na stworzenie modelu charakteryzującego się lepszą przenośnością, w porównaniu z potencjałami empirycznymi, którymi posługuje się tradycyjna dynamika molekularna. W niniejszej pracy przedstawiono szczegółowo sposób obliczenia pochodnych elementów macierzy Hamiltona i macierzy nakładania...
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublikacjaAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Binding free energy of selected anticancer compounds to DNA - theoreticalcalculations
PublikacjaPraca dotyczy swobodnej energii wiązania z DNA trzech związków o działaniu przeciwnowotworowym (mitoksantronu i dwóch pochodnych pirymidoakrydyny). Obliczenia wykorzystywały metody Poissona-Boltzmanna (udział elektrostatyczny) i metody SASA (udział nieelektrostatyczny). W wyniku badań zaproponowano struktury kompleksów jakie tworzą badane ligandy z DNA.
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublikacjaIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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The saturation of the excess electron binding energy in AlnF3n+1- (n= 1–5) anions
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Markets of Energy (Dezhou)
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Markets of Energy 21/22
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Markets of Energy 2021/22
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Advanced design of energy installations
Kursy OnlineZapoznanie studentów z metodami projektowania komór spalania kotłów, instalacji do transportu medium oraz urządzeń wchodzących w skład elektrociepłowni.
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Markets of Energy (Dezhou University)
Kursy OnlineMarkets of Energy course for Dezhou University - materials and online lessons
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Advanced design of energy installations
Kursy OnlineZapoznanie z metodami projektowania komór spalania kotłów, instalacji do transportu medium oraz urządzeń wchodzących w skład elektrociepłowni.
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TRANSFER OF ELECTRIC ENERGY [2023/24]
Kursy OnlineCourse content: Basic information on the structure of the power system, the major devices (components) for generation, transmission and distribution of electricity. Active and reactive power generation and their sources. Power supply networks. Tasks, structure, parameters. AC and DC transmission of electricity. Equivalent diagrams of the components of the power system. Steady state load flow calculation: currents, voltage,...
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TRANSFER OF ELECTRIC ENERGY [2022/23]
Kursy OnlineCourse content: Basic information on the structure of the power system, the major devices (components) for generation, transmission and distribution of electricity. Active and reactive power generation and their sources. Power supply networks. Tasks, structure, parameters. AC and DC transmission of electricity. Equivalent diagrams of the components of the power system. Steady state load flow calculation: currents, voltage,...
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TRANSFER OF ELECTRIC ENERGY [2024/25]
Kursy OnlineCourse content: Basic information on the structure of the power system, the major devices (components) for generation, transmission and distribution of electricity. Active and reactive power generation and their sources. Power supply networks. Tasks, structure, parameters. AC and DC transmission of electricity. Equivalent diagrams of the components of the power system. Steady state load flow calculation: currents, voltage, power,...
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Advanced design of energy installations | Project
Kursy OnlineZapoznanie z metodami projektowania komór spalania kotłów, instalacji do transportu medium oraz urządzeń wchodzących w skład elektrociepłowni.
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TRANSFER OF ELECTRIC ENERGY [2024/25]
Kursy OnlineCourse content: Basic information on the structure of the power system, the major devices (components) for generation, transmission and distribution of electricity. Active and reactive power generation and their sources. Power supply networks. Tasks, structure, parameters. AC and DC transmission of electricity. Equivalent diagrams of the components of the power system. Steady state load flow calculation: currents, voltage,...
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TRANSFER OF ELECTRIC ENERGY [2021/22]
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Condition monitoring of energy installations IDESII
Kursy OnlineMeasurement errors and uncertainties. Industrial measurements in the energy industry. Measuring devices. The basics of control in industry. Measurement characteristics in complex energy systems. Distributed Control System (DCS) (KSR).
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High Energy Quality of Buildings 2022/23
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Physical and chemical basis of energy generation
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High Energy Quality of Buildings 2023/24
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High Energy Quality of Buildings 2024/25
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[Soft Skills] Decentralized energy systems. Social aspects of energy production and use
Kursy Online{mlang pl} Dyscyplina: soft skills Zajęcia obowiązkowe dla doktorantów II roku, Prowadzący: dr inż. Andrzej Augusiak, doc. PG Liczba godzin: 10 Forma zajęć: {mlang} {mlang en} Discipline: soft skills Obligatory course for 2nd-year PhD students Academic teacher: dr inż. Andrzej Augusiak, doc. PG Total hours of training: 10 teaching hours Course type: {mlang}
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Physical and chemical basis of energy generation - 2023
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Fundamentals of Power Electronics [Energy Technologies][2020/21]
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Physical and chemical basis of energy generation - 2024
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Fundamentals of Power Electronics [Energy Technologies][2022/23]
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Transfer of Electric Energy Dezhou University 2023/2024
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Pipelines and auxiliary equipment of energy installations (WM)
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Transfer of Electric Energy Dezhou University 2024/2025
Kursy Onlineelearning course about Transfer of Electric Energy for Dezhou University for summer semester 2024/2025
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Decentralized energy systems. Social aspects of energy production and use (10h, 2 ECTS credits)
Kursy OnlineThe main aim of the course is to introduce students to the socio-political aspects of the decentralization of energy systems. The motivation behind these changes is not only due to technological developments or economic issues. The main driving force are wider social and political trends. Many energy supply projects that are being developed and implemented today assume an active role for consumers in energy production, who become...
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[Soft Skills] Decentralized energy systems. Social aspects of energy production and use (2023/2024)
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[Soft Skills] Decentralized energy systems. Social aspects of energy production and use [2022/23]
Kursy Online{mlang pl} Dyscyplina: soft skills Zajęcia obowiązkowe dla doktorantów II roku, Prowadzący: dr inż. Andrzej Augusiak, doc. PG Liczba godzin: 10 Forma zajęć: {mlang} {mlang en} Discipline: soft skills Obligatory course for 2nd-year PhD students Academic teacher: dr inż. Andrzej Augusiak, doc. PG Total hours of training: 10 teaching hours Course type: {mlang}
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Fundamentals of Company Functioning, Energy Technologies, lato 2022/2023
Kursy OnlineThe scope of the subject is to present the foundations of company functioning to enable to overall understanding of how company is active in the environment and enhance the understanding of internal and external relationship evident in organizations.
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Fundamentals of Company Functioning, Energy Technologies, lato 2021/2022
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Fundamentals of Company Functioning, Energy Technologies, lato 2023/2024
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Fundamentals of Company Functioning, Energy Technologies, lato 2022/2023
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Physical and chemical basis of energy generation - GT 2021-2022
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Fundamentals of Power Electronics [Energy Technologies][EE][I][2023/24]
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Application of Mathematics in Technology 2 [Energy Technologies][2024/25]
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Fundamentals of Power Electronics [Energy Technologies][EE][I][2024/25]
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Physical and chemical basis of energy generation - GT 2021-2022 laboratory
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Fundamentals of Electrical Engineering and Electronics 1 [Energy Technologies][2024/25]
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Advanced design of energy installations, P, MiBM, sem. 07, zimowy 22/23
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Fundamentals of Automatics L, Energy Technologies, sem. 05, zimowy 22/23, PG_00042102
Kursy OnlineFundamentals of Automatics 2022
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Advanced design of energy installations, W MiBM, sem. 07, zimowy 22/23
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Fundamentals of Company Functioning, Energy Technologies, sem.2,1st degree, stationery course, summer 2024/2025
Kursy OnlineThe scope of the subject is to present the foundations of company functioning to enable to overall understanding of how company is active in the environment and enhance the understanding of internal and external relationship evident in organizations.
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Modelling and Simulation of Control Systems Applied in Energy Technologies, W,L, Energetyka, sem.05, zimowy 2024/2025 (PG_00042105)
Kursy OnlineThis course is titled Modelling and Simulation of Control Systems Applied in Energy Technologies intended for seventh-semester students in the BSc program in Power Engineering, specializing in Energy Technologies.
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....