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| Description
| - General goal of the submitted project is the formation of convenient and sustained conditions for an efficient multidisciplinary graduate education of physical chemistry students in the field of complex molecular and supramolecular systems with a specialaccent to the structure-function relationship. The project is aimed at the advanced education of experts with a relatively broad scientific background that will be able to communicate with both physicists and biologists or medical doctors in multidisciplinary teams, (i) working in fast growing biomedical field, (ii) developing the up-to-date nanocomposites (for biomedical applications), and (iii) studying nanoparticles, both natural (e.g., atmospheric aerosols) and catalytically active (e.g., zeolites). In a short time perspective of next four years, the project offers a scenario for the improvement of the quality and efficiency of graduate studies based on the broadening the theoretical education in favor of interdisciplinary subjects (en)
- Podstatou navrhovaného projektu je vytvoření trvalých podmínek pro efektivní multidisciplinární vědeckou přípravu studentů DSP fyzikální chemie v oblasti struktury a funkce složitých molekulárních a supramolekulárních systémů. Cílem je výchova široce vzdělaných odborníků, kteří budou schopni kooperovat jak s fyziky, tak s biology a lékaři v mezioborových týmech, které pracují (i) v rychle se rozvíjejících oblastech biofyzikálního a medicínského výzkumu a (ii) na vývoji nanostrukturních a nanokompozitních materiálů pro terapeutické účely a (iii) které studují systémy nanočástic, a to jak přírodních (například atmosférické aerosoly) tak i katalyticky aktivních (například zeolity). V kratším časovém horizontu příštích čtyř let projekt usiluje o zvýšení kvality a efektivity doktorského studia na základě rozšíření teoretické výuky studentů ve prospěch interdisciplinárních předmětů a propojení tématiky jednotlivých disertačních prací v rámci několika pracovišť (vysokoškolských i
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| Title
| - Experimental Study and Computer Modeling of the Structure and Function of the Complex Molecular Systems and Bio(macro)molecules (en)
- Experimentální studium a počítačové modelování struktury a funkce komplexních molekulových systémů a bio(makro)molekul
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| skos:notation
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| http://linked.open...avai/cep/aktivita
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| http://linked.open...kovaStatniPodpora
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| http://linked.open...ep/celkoveNaklady
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| http://linked.open...datumDodatniDoRIV
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| http://linked.open...i/cep/druhSouteze
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| http://linked.open...ep/duvernostUdaju
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| http://linked.open.../cep/fazeProjektu
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| http://linked.open...ai/cep/hlavniObor
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| http://linked.open...hodnoceniProjektu
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| http://linked.open...vai/cep/kategorie
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| http://linked.open.../cep/klicovaSlova
| - physical chemistry; biophysics; complex molecular systems; modeling; experimental studies (en)
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| http://linked.open...ep/partnetrHlavni
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| http://linked.open...inujicichPrijemcu
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| http://linked.open...cep/pocetPrijemcu
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| http://linked.open...ocetSpoluPrijemcu
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| http://linked.open.../pocetVysledkuRIV
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| http://linked.open...enychVysledkuVRIV
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| http://linked.open...lneniVMinulemRoce
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| http://linked.open.../prideleniPodpory
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| http://linked.open...iciPoslednihoRoku
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| http://linked.open...atUdajeProjZameru
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| http://linked.open.../vavai/cep/soutez
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| http://linked.open...usZobrazovaneFaze
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| http://linked.open...ai/cep/typPojektu
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| http://linked.open...ep/ukonceniReseni
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| http://linked.open.../cep/vedlejsiObor
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| http://linked.open...ep/zahajeniReseni
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| http://linked.open...jektu+dodavatelem
| - Hlavním cílem projektu bylo zkvalitnění a zvýšení úrovně doktorských studií fyzikální chemie a příbuzných oborů na Přírodovědecké fakultě Univerzity Karlovy v Praze a na několika spolupracujících ústavech Akademie věd České republiky, jmenovitě v oboru s (cs)
- The main objective of the project was an improvement of the scientific level of PhD studies in physical chemistry and in related fields at the Faculty of Science of the Charles University in Prague and at several cooperating Institutes of the Academy of (en)
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| http://linked.open...tniCyklusProjektu
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| http://linked.open.../cep/klicoveSlovo
| - physical chemistry
- biophysics
- complex molecular systems
- modeling
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| is http://linked.open...vavai/riv/projekt
of | - Specific ion binding to macromolecules: Effects of hydrophobicity and ion pairing
- Biomolecular simulations of membranes: Physical properties from different force fields
- Monitoring ice nucleation in pure and salty water via high-speed imaging and computer simulations
- Adsorption of aromatic hydrocarbons and ozone at environmental aqueous surfaces
- Water structuring and hydroxide ion binding at the interface between water and hydrophobic walls of varying rigidity and van der waals interactions
- Correlation between the thermodynamic stability of DNA duplexes and the interaction and solvation energies of DNA building blocks
- Hydronium and hydroxide at the interface between water and hydrophobic media
- Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations
- Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane
- Identifying stabilizing key residues in proteins using interresidue interaction energy matrix
- Interpretation of protein/ligand crystal structure using QM/MM calculations: Case of HIV-1 protease/metallacarborane complex
- Hofmeister series and specific interactions of charged headgroups with aqueous ions
- Ion-specific interactions between halides and basic amino acids in water
- Benchmarking polarizable molecular dynamics simulations of aqueous sodium hydroxide by diffraction measurements
- Representative amino acid side chain interactions in proteins. A comparison of highly accurate correlated ab initio quantum chemical and empirical potential procedures
- Specificity of ion-protein interactions: Complementary and competitive effects of tetrapropylammonium, guanidinium, sulfate, and chloride ions
- Molecular model of a cell plasma membrane with an asymmetric multicomponent composition: Water permeation and ion effects
- Analysis of Energy Stabilization inside the Hydrophobic Core of Rubredoxin
- Effects of alkali cations and halide anions on the DOPC lipid membrane
- Dielectric Interpretation of Specificity of Ion Pairing in Water
- Stimuli-responsive nanoparticles based on interaction of metallacarborane with poly(ethylene oxide)
- Surface-enhanced Raman scattering from simgle moleculary bridged silver nanoparticle aggregate
- Effect of preparation procedure on the structure, morphology, and optical properties of nanocomposites of poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] with gold nanoparticles
- Amphiphilic Graft Copolymers in Selective Solvents: Molecular Dynamics Simulations and Scaling Theory
- Electromigration Oscillations Occurring in Ternary Electrolyte Systems with Complex Eigenmobilities, as Predicted by Theory and Ascertained by Capillary Electrophoresis
- Simulation of desalting that occurs during isoelectric trapping separations
- Determination of the surface heat-transfer coefficient in CE
- The use of solvent relaxation technique to investigate headgroup hydration and protein binding of simple and mixed phosphatidylcholine/surfactant bilayer membranes
- Molecular interpretation of fluorescence solvent relaxation of Patman and 2H NMR experiments in phosphatidylcholine bilayers
- Conformational behavior of comb-like polyelectrolytes in selective solvent: Computer simulation study
- Kohlrausch regulating function and other conservation laws in electrophoresis
- Eigenmobilities in background electrolytes for CZE. V. Intensity (amplitudes) of system peaks
- Linear free energy relationship as a tool for characterization of three teicoplanin-based chiral stationary phases under various mobile phase compositions
- Determination of micelle CMC by system peaks in electrophoresis
- Oscillating Electrolytes in Capillary Electrophoresis
- Ansa-vanadocene complexes with short interannular bridges
- Dispersive interactions govern strong thermal stability of a protein
- Hydration Gibbs energies of nucleic acid bases determined by Gibbs energy perturbation, continuous and hybrid approaches
- Comparing temporally fluctuating SERS signals from samples of porphyrin-bridged silver nanoparticle dimers and small aggregates prepared in the aqueous and in the organic ambient
- Charge distribution and conformations of weak polyelectrolyte chains in poor solvents
- Ion-specific effect on laser ablation of silver in aqueous electrolyte solution
- 14-3-3 Proteins: A Family of Versatile Molecular Regulators
- System peaks in micellar electrophoresis: 1. Utilization of system peaks for determination of critical micelle concentration
- Propensities of oxalic, citric, succinic, and maleic acids for the aqueous solution/vapour interface: Surface tension measurements and molecular dynamics simulations.
- Laser-induced size reduction of gold nanoparticles
- Aqueous ionic and complementary zwitterionic soluble surfactants: Molecular dynamics simulations and sum frequency generation spectroscopy of the surfaces
- Potential energy and transition dipole moment functions of C2-
- Homogeneous freezing of water starts in the subsurface
- Propensity for the air/water interface and ion pairing in magnesium acetate vs magnesium nitrate solutions: Molecular dynamics simmulations and surface tension measurements
- Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces
- Selected biologically relevant ions at the air/water interface: A comparative molecular dynamics study
- Computed lifetimes of metastable states of CO2+
- Theoretical study of the CS2+ dication
- Theoretical Study of Photoacidity of HCN: the Effect of Complexation with Water
- Molecular dynamics simulations of freezing of water and salt solutions
- Water surface is acidic
- Propensity of formate, acetate, benzoate, and phenolate for the aqueous solution/vapor interface: Surface tension measurements and molecular dynamics simulations
- Purines bearing phenanthroline or bipyridine ligands and their Ru II complexes in position 8 as model compounds for electrochemical DNA labeling - synthesis, crystal structure, electrochemistry, quantum calculations, cytostatic and antiviral activity
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