Search results
- 1.0382001 - ÚOCHB 2013 CZ eng A - Abstract
Jurček, Ondřej - Ikonen, S. - Lahtinen, M. - Buřičová, Lucie - Horníček, Jan - Galandáková, A. - Ulrichová, J. - Wimmerová, M. - Wimmer, Zdeněk - Drašar, P. - Kolehmainen, E.
Polymorphism of succinobucol and its conjugation with steroids to alter its drug effect and bioavailability.
Chemické listy. Česká společnost chemická. Roč. 106, - (2012), s1307-s1307. ISSN 0009-2770. E-ISSN 1213-7103.
[EuCheMS Chemistry Congress /4./. 26.08.2012-30.08.2012, Prague]
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50380511
Keywords : steroids * antioxidants * drug design
Subject RIV: CC - Organic Chemistry
Permanent Link: http://hdl.handle.net/11104/0212348 - 2.0366249 - 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 - 3.0364111 - ÚOCHB 2012 CZ eng A - Abstract
Hudecová, Jana - Horníček, Jan - Šebestík, Jaroslav - Buděšínský, Miloš - Keiderling, T. A. - Bouř, Petr
Conformation of the tryptophane residue in cyclic dipeptides studied by chiral spectroscopies.
Modeling Interactions in Biomolecules 5. Praha: Matfyzpress, 2011 - (Burda, J.). s. 30-30. ISBN 978-80-7378-180-4.
[Modeling Interactions in Biomolecules /5./. 04.09.2011-09.09.2011, Kutná Hora]
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902; UK CZ(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : tryptophane residue * chiral spectroscopies * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199679 - 4.0364013 - ÚOCHB 2012 GR eng A - Abstract
Standara, Stanislav - Štěpánek, Petr - Kulhánek, P. - Horníček, Jan - Straka, Michal
Density functional calculations of NMR parameters in endohedral fullerenes and confined Xe systems.
14th International Density Functional Theory Conference. Athens: Demokritos, 2011. s. 98-98.
[International Density Functional Theory Conference /14./. 29.08.2011-02.09.2011, Athens]
R&D Projects: GA ČR GA203/09/2037
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR parameters * confined Xe systems * DFT * endohedral fullerenes * 129Xe NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199608 - 5.0363999 - ÚOCHB 2012 GR eng A - Abstract
Standara, Stanislav - Kulhánek, P. - Marek, R. - Horníček, Jan - Bouř, Petr - Straka, Michal
Simulation of 129Xe NMR chemical shift of Xe@C60 dissolved in liquid benzene.
14th International Density Functional Theory Conference. Athens: Demokritos, 2011. s. 96-96.
[International Density Functional Theory Conference /14./. 29.08.2011-02.09.2011, Athens]
R&D Projects: GA ČR GA203/09/2037; GA ČR GAP208/11/0105
Institutional research plan: CEZ:AV0Z40550506
Keywords : 129Xe NMR spectroscopy * 129Xe NMR chemical shift * molecular dynamics * nonrelativistic DFT * Breit-Pauli perturbation corrections
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199599 - 6.0361500 - ÚOCHB 2012 GB eng A - Abstract
Horníček, Jan - Bouř, Petr
Modelling of the TrpZip2C Peptide Unfolding and its Optical Activity.
CD 2011. The 13th International Conference on Chiroptical Spectroscopy. Oxford: Diamond, 2011. s. 88-88.
[CD 2011. The International Conference on Chiroptical Spectroscopy /13./. 24.07.2011-28.07.2011, Oxford]
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902; European Reintegration Grant(XE) 230955
Institutional research plan: CEZ:AV0Z40550506
Keywords : raman * vibrational optical activity * calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0198801 - 7.0361488 - ÚOCHB 2012 GB eng A - Abstract
Hudecová, Jana - Horníček, Jan - Šebestík, Jaroslav - Buděšínský, Miloš - Bouř, Petr
Tryptophan-Containing Cyclic Dipeptides Studied by Optical Activity.
CD 2011. The 13th International Conference on Chiroptical Spectroscopy. Oxford: Diamond, 2011. s. 20-20.
[CD 2011. The International Conference on Chiroptical Spectroscopy /13./. 24.07.2011-28.07.2011, Oxford]
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902; UK CZ(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : cyclic dipeptides * ROA * DFT calculations * tryptophane
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0198792 - 8.0360079 - ÚOCHB 2012 CZ eng A - Abstract
Hudecová, Jana - Horníček, Jan - Buděšínský, Miloš - Šebestík, Jaroslav - Bouř, Petr
Conformational study of the cyclo(L-Trp-L-Trp)dipeptide.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 18, č. 1 (2011), s. 24-24. ISSN 1211-5894.
[Discussions in Structural Molecular Biology /9./. 24.03.2011-26.03.2011, Nové Hrady]
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902; UK CZ(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : cyclic dipeptides * DFT calculations * ROA * tryptophane
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0197716 - 9.0329961 - ÚOCHB 2010 FR eng A - Abstract
Horníček, Jan - Andrushchenko, Valery - Matějka, P. - Anderson, D. - Kaminský, Jakub - Bouř, Petr
Modeling the N-methylacetamide structure and anharmonic vibrational spectra.
[Modelování struktury a anharmonických vibračních spekter N-methylacetamidu.]
13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Lyon: -, 2009. s. 70-70.
[International Conference on the Application of Density Functional Theory in Chemistry and Physics /13./. 31.08.2009-04.09.2009, Lyon]
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman spectra * NMA * DFT * anharmonic
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0175851 - 10.0322568 - ÚOCHB 2009 CZ eng A - Abstract
Horníček, Jan - Dvořáková, H. - Bouř, Petr
Computational study of the NH-tautomerism in calix[4]phyrins observed by NMR spectroscopy.
[Výpočetní studie NH-tautomerismu u calix[4]phyrinů pozorovaná pomocí NMR spektroskopie.]
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 16, 1a (2009), b31-b31. ISSN 1211-5894.
[Meeting of the Czechoslovak and Slovak Biologists /7./. 12.03.2009-14.03.2009, Nové Hrady]
Institutional research plan: CEZ:AV0Z40550506
Keywords : calix[4]phyrin * NH-tautomerism * simulation * potential energy surface
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0170784