About: Development of spectroscopic methods for structural studies of biomolecules

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Projekt, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	http://linked.opendata.cz/ontology/domain/vavai/Projekt
rdfs:seeAlso	http://www.isvav.cz/projectDetail.do?rowId=LH11033
Description	Understanding of the structure and behavior of molecules is important for many technical and biochemical applications. Biologically interesting molecules are therefore studied by spectroscopic methods to get information about living processes, to develop new drugs, etc. In this project, the main target is to improve experimental protocols and instrumental setup, primarily for methods using molecular chirality. Specific objectives include 1) Adapt ROA methodology for biologically relevant peptide samples 2) Optimize measurement in aqueous and organic solvents 3) Introduction of temperature- and pressure-controlled experiments 4) Synthesis of 20 sequences mapping the mouse prion protein 5) Synthesis and measurement of selected isotopically-labeled peptides 6) Synthesis and characterization of sulfur-DNA analogues 7) Computational protocols for spectra simulation of dynamic systems 8) Computational protocol for anharmonic corrections to vibrational spectra (en) A) Adaptace ROA metodologie pro biologicky relevantní peptidy (2011-2014) B) Optimalizace měření ve vodných i nevodných roztocích (2011-2012) C) Zavedení teplotních měření, konstrukce teplotní cely (2011-2013, podle průběžných výsledků), rozšíření dostupného teplotního rozsahu, dlouhodobé testování cely a její příprava ke komerčnímu využití. D) Syntéza 20 sekvencí systematicky mapující myší prion (2011, základní předpoklad pro spektroskopické experimenty) E) Příprava sirných analogů DNA (2012-2014) F) Syntéza a měření isotopicky značených vybraných peptidů (2012-2014) G) Výpočetní protokoly pro dynamické systémy – kombinované klasické a kvantové studie (2013) F) Výpočetní protokol pro anharmonické korekce vibračních energií (2014)
Title	Development of spectroscopic methods for structural studies of biomolecules (en) Vývoj spektroskopických metod pro zkoumání struktury biomolekul
skos:notation	LH11033
http://linked.open...avai/cep/aktivita	KONTAKT II
http://linked.open...kovaStatniPodpora	http://linked.opendata.cz/resource/domain/vavai/projekt/LH11033/celkovaStatniPodpora
http://linked.open...ep/celkoveNaklady	http://linked.opendata.cz/resource/domain/vavai/projekt/LH11033/celkoveNaklady
http://linked.open...datumDodatniDoRIV	2015-02-16 (xsd:date)
http://linked.open...i/cep/druhSouteze	VS - Veřejná soutěž ve výzkumu a vývoji
http://linked.open...ep/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open.../cep/fazeProjektu	100399804
http://linked.open...ai/cep/hlavniObor	CF - Fyzikální chemie a teoretická chemie
http://linked.open...vai/cep/kategorie	ZV - Základní výzkum
http://linked.open.../cep/klicovaSlova	vibrational spectroscopy; NMR; nucleic acids; biomolecules; computational methods; quantum chemistry (en)
http://linked.open...ep/partnetrHlavni	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...inujicichPrijemcu	0 (xsd:int)
http://linked.open...cep/pocetPrijemcu	1 (xsd:int)
http://linked.open...ocetSpoluPrijemcu	1 (xsd:int)
http://linked.open.../pocetVysledkuRIV	43 (xsd:int)
http://linked.open...enychVysledkuVRIV	43 (xsd:int)
http://linked.open...lneniVMinulemRoce	2013-03-06 (xsd:date)
http://linked.open.../prideleniPodpory	http://linked.opendata.cz/resource/domain/vavai/cep/prideleniPodpory/MSMT-6784%2F2013-311
http://linked.open...iciPoslednihoRoku	2014
http://linked.open...atUdajeProjZameru	2014
http://linked.open.../vavai/cep/soutez	SMSM2011LH1
http://linked.open...usZobrazovaneFaze	DRRVK
http://linked.open...ai/cep/typPojektu	P - Projekt výzkumu a vývoje financovaný ze státního rozpočtu
http://linked.open...ep/ukonceniReseni	2014-12-31 (xsd:date)
http://linked.open.../cep/vedlejsiObor	BO - Biofyzika
http://linked.open...ep/zahajeniReseni	2011-03-01 (xsd:date)
http://linked.open...tniCyklusProjektu	ZBBK
http://linked.open.../cep/klicoveSlovo	vibrational spectroscopy NMR biomolecules computational methods nucleic acids
is http://linked.open...vavai/riv/projekt of	Molecular Dynamics with Helical Periodic Boundary Conditions Multi-scale modeling of electronic spectra of three aromatic amino acids: importance of conformational averaging and explicit solute-solvent interactions Magnetic Circular Dichroism of Porphyrin Lanthanide M3+ Complexes Transferability of Various Molecular Property Tensors in Vibrational Spectroscopy Theoretical Modeling of the Surface-Enhanced Raman Optical Activity Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment Computation of magnetic circular dichroism by sum-over-states summations Efficient Modeling of NMR Parameters in Carbon Nanosystems Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra On the limited precision of transfer of molecular optical activity tensors Spectroscopic Detection of DNA Quadruplexes by Vibrational Circular Dichroism Tracking of the Polyproline Folding by Density Functional Computations and Raman Optical Activity Spectra Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation Binding energies of five molecular pincers calculated by explicit and implicit solvent models Biomedical Applications of Peptide-, Glyco- and Glycopeptide Dendrimers, and Analogous Dendrimeric Structures Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity Inspecting chiral molecules by Raman optical activity spectroscopy Inspecting chiral molecules by Raman optical activity spectroscopy Dependence of the Reactivity of Acridine on Its Substituents: A Computational and Kinetic Study CH Stretching Region: Computational Modeling of Vibrational Optical Activity Communication: Fullerene resolution by the magnetic circular dichroism Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods Formation of a Thymine-Hg-II-Thymine Metal-Mediated DNA Base Pair: Proposal and Theoretical Calculation of the Reaction Pathway Temperature cell for Raman optical activity spectrometer Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy Detection of Mercury - TpT Dinucleotide Binding by Raman Spectra: A Computional Study Detection of Molecular Chirality by Induced Resonance Raman Optical Activity in Europium Complexes Porphyrin Protonation Studied by Magnetic Circular Dichroism Resolution of Organic Polymorphic Crystals by Raman Spectroscopy Transition polarizability model of induced resonance Raman optical activity Ab initio modeling of fused silica, crystal quartz, and water Raman spectra Computational and Experimental Evidence of Through-Space NMR Spectroscopic J Coupling of Hydrogen Atoms Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method Ferric Complexes of 3-Hydroxy-4-pyridinones Characterized by Density Functional Theory and Raman and UVvis Spectroscopies Modeling Ne-21 NMR parameters for carbon nanosystems Observation of Paramagnetic Raman Optical Activity of Nitrogen Dioxide Raman Optical Activity of Methyloxirane Gas and Liquid Rotationally resolved magnetic vibrational circular dichroism of the paramagnetic molecule NO Structure and Vibrational Motion of Insulin from Raman Optical Activity Spectra Vibrational Averaging of the Chemical Shift in Crystalline alpha-Glycine Fullerene C-70 characterization by C-13 NMR and the importance of the solvent and dynamics in spectral simulations Arrangement of Fibril Side Chains Studied by Molecular Dynamics and Simulated Infrared and Vibrational Circular Dichroism Spectra
is http://linked.open...vavai/cep/projekt of	http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2011/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2011/orjk%3A15310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2012/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2012/orjk%3A15310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2013/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2013/orjk%3A15310 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2014/ico%3A61388963 http://linked.opendata.cz/resource/domain/vavai/cep/ucast/LH11033/2014/orjk%3A15310

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