Search results
- 1.0448651 - ÚOCHB 2016 DE eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Multi-level modeling of vibrational spectra of the phosphate group.
16th European Conference on the Spectroscopy of Biological Molecules. Bochum: Ruhr-University Bochum, 2015. s. 86.
[European Conference on the Spectroscopy of Biological Molecules /16./. 06.09.2015-10.09.2015, Bochum]
R&D Projects: GA ČR GA13-03978S; GA ČR GA15-09072S
Grant - others:GA AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : DNA phosphate group * vibrational spectroscopy * multi-level spectra simulations * MD/DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0250286 - 2.0438120 - ÚOCHB 2015 DE eng A - Abstract
Andrushchenko, Valery - Benda, Ladislav - Bouř, Petr
Improving the Precision of Ab Initio Spectra Modeling by Employing Molecular Dynamics Simulations.
EUCMOS 2014. 32th European Congress on Molecular Spectroscopy. Düsseldorf: Heinrich Heine Universität Düsseldorf, 2014 - (Schmitt, M.). s. 103
[EUCMOS 2014. European Congress on Molecular Spectroscopy /32./. 24.08.2014-29.08.2014, Düsseldorf]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : multi-scale spectra modeling * quantum chemistry * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0241605 - 3.0438114 - ÚOCHB 2015 PL eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Accurate modeling of molecular optical properties by a combination of molecular dynamics and quantum chemistry.
7th Central Europe Conference. Chemistry towards Biology. Katowice: University of Silesia, 2014. O6.
[Chemistry towards Biology. Central Europe Conference /7./. 09.09.2014-12.09.2014, Katowice]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : molecular dynamics * quantum chemistry * multi-scale spectra
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0241613 - 4.0389518 - ÚOCHB 2013 HR eng A - Abstract
Andrushchenko, Valery - Tsankov, D. - Krasteva, M. - Wieser, H. - Bouř, Petr
Nanoscale Self-Assemblies of DNA G-quadruplexes and i-DNA: VCD Spectroscopic and Theoretical Study.
2nd Adriatic School on Nanoscience (ASON-2). Nanoscience from Synthesis to Characterization. Dubrovnik: -, 2012. s. 42-43.
[Adriatic School on Nanoscience (ASON-2). Nanoscience from Synthesis to Characterization /2./. 02.09.2012-07.09.2012, Dubrovnik]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism spectroscopy * guanosine monophosphate
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0218403 - 5.0376462 - ÚOCHB 2013 CZ eng A - Abstract
Andrushchenko, Valery - Tsankov, D. - Krasteva, M. - Wieser, H. - Bouř, Petr
Vibrational circular dichroism study of isotropic and liquid crystalline phases formed by guanine quadruplexes.
Materials structure. Roč. 19, č. 1 (2012), s. 3-3. ISSN 1210-8529.
[10th Discussions in Structural Molecular Biology. 22.03.2012-24.03.2012, Nové Hrady]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:AV ČR M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : G-quadruplexes * DNA * liquid crystals * VCD spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0208851 - 6.0374492 - ÚOCHB 2012 PT eng A - Abstract
Andrushchenko, Valery - Pohle, W. - Gauger, D. R. - Bouř, Petr
Supramolecular structure of diolein and stearyl alcohol characterised by IR spectroscopy and theoretical modeling.
14th European Conference on the Spectroscopy of Biological Molecules. Coimbra: -, 2011.
[European Conference on the Spectroscopy of Biological Molecules /14./. 29.08.2011-03.09.2011, Coimbra]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : amphiphiles * supramolecular assemblies * IR spectroscopy * quantum chemistry spectra simulations * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0207401 - 7.0374429 - ÚOCHB 2012 UA eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Application of CCT Technique to Simulate Vibrational Spectra of Nucleic Acid Oligomers.
Methods and Applications of Computational Chemistry. 4th International Symposium. Lviv: -, 2011. s. 41-41.
[Methods and Applications of Computational Chemistry. International Symposium /4./. 28.06.2011-02.07.2011, Lviv]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : IR spectroscopy * VCD spectroscopy * quantum chemistry spectra simulations * Cartesian coordinate transfer (CCT) * nucleic acids
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0207352 - 8.0374415 - ÚOCHB 2012 UA eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Simulations of vibrational spectra for large biomolecules.
20. International School-Seminar of Galyna Puchkovska. Beregove: -, 2011. s. 304-304.
[International School-Seminar of Galyna Puchkovska /20./. 20.09.2011-27.09.2011, Beregove]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : IR spectroscopy * VCD spectroscopy * quantum chemistry spectra simulations * Cartesian coordinate transfer (CCT) * nucleic acids
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0207343 - 9.0374371 - ÚOCHB 2012 UA eng A - Abstract
Andrushchenko, Valery - Tsankov, D. - Krasteva, M. - Wieser, H. - Bouř, Petr
Nanoscale self-assemblies of DNA quadruplexes: VCD spectroscopy and MD/QM modeling.
2nd International Conference Nanobiophysics: Fundamental and Applied Aspects. Kiev: -, 2011. s. 37-37.
[International Conference "Nanobiophysics: Fundamental and Applied Aspects /2./. 06.10.2011-09.10.2011, Kiev]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : G-quadruplexes * dGMP * liquid crystals * VCD spectroscopy * spectra simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0207308 - 10.0366249 - ÚOCHB 2012 PT eng A - Abstract
Hudecová, Jana - Horníček, Jan - Šebestík, Jaroslav - Buděšínský, Miloš - Bouř, Petr
Behaviour of the tryptophane residue in cyclic dipeptides studied by chiral spectroscopies.
14 ECSBM. European Conference on the Spectroscopy of Biological Molecules. Coimbra: Coimbra University, 2011. s. 17-17.
[ECSBM. European Conference on the Spectroscopy of Biological Molecules /14./. 29.08.2011-03.09.2011, Coimbra]
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/11/0105
Grant - others:UK CZ(CZ) 126310; AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : tryptopmane residue * cyclodipeptides * chiral spectroscopies
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0201302