Search results
- 1.0491251 - ÚOCHB 2019 PL eng A - Abstract
Šebera, Jakub - Řeha, David - Kolivoška, Viliam - Sebechlebská, Táňa - Hromadová, Magdaléna - Tanaka, Y. - Buděšínský, Miloš - Sychrovský, Vladimír
The study of charge transfer through damaged DNA duplexes.
Modeling & Design of Molecular Materials 2018. Polanica-Zdrój: Wroclaw University of Science nad Technology, 2018. P41B.
[Modeling & Design of Molecular Materials 2018. 24.06.2018-28.06.2018, Polanica-Zdrój]
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963 ; RVO:61388971 ; RVO:61388955
Keywords : 8-oxoguanine * DFT * DNA
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0285527 - 2.0491249 - ÚOCHB 2019 FR eng A - Abstract
Šebera, Jakub - Řeha, David - Kolivoška, Viliam - Sebechlebská, Táňa - Hromadová, Magdaléna - Tanaka, Y. - Kratochvílová, Irena - Buděšínský, Miloš - Sychrovský, Vladimír
The study of charge transfer through DNA duplex incorporating T-Hg-T metal-mediated base pair.
16th International Congress of Quantum Chemistry. Menton: IAQMS, 2018. B99.
[International Congress of Quantum Chemistry /16./. 18.06.2018-23.06.2018, Menton]
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963 ; RVO:61388971 ; RVO:61388955 ; RVO:68378271
Keywords : metal-mediated base pair * charge transfer * DNA
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0285525 - 3.0489773 - ÚOCHB 2019 CZ eng A - Abstract
Šebera, Jakub - Řeha, David - Kolivoška, V. - Sebechlebská, Táňa - Hromadová, M. - Tanaka, Y. - Buděšínský, Miloš - Sychrovský, Vladimír
The theoretical study of charge transfer efficiency through damaged DNA duplexes.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 25, č. 1 (2018), s. 50-51. ISSN 1211-5894.
[Discussions in Structural Molecular Biology /15./. 22.03.2018-24.03.2018, Nové Hrady]
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963 ; RVO:61388971 ; RVO:61388955
Keywords : charge transfer * DFT * DNA
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0284805 - 4.0476445 - ÚOCHB 2018 CZ eng A - Abstract
Šebera, Jakub - Tanaka, Y. - Kojima, C. - Hattori, Y. - Řeha, David - Nencka, Radim - Fukal, Jiří - Sychrovský, Vladimír
The mechanism of the glycosylase reaction with hOGG1: concerted effect of Lys249 and Asp268 during excision of oxoG.
7th Visegrad Symposium on Structural Systems Biology. Nové Hrady: Institute of Microbiology, 2017.
[Visegrad Symposium on Structural Systems Biology /7./. 21.06.2017-24.06.2017, Nové Hrady]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963 ; RVO:61388971
Keywords : QM/MM * NMR * hOGG1 * enzymatic catalysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0272944 - 5.0476441 - ÚOCHB 2018 CZ eng A - Abstract
Šebera, Jakub - Tanaka, Y. - Kojima, C. - Hattori, Y. - Řeha, David - Nencka, Radim - Fukal, Jiří - Sychrovský, Vladimír
The excision of OxoG base with hOGG1 BER enzyme; towards validation of the catalytic pathway.
7th Visegrad Symposium on Structural Systems Biology. Nové Hrady: Institute of Microbiology, 2017.
[Visegrad Symposium on Structural Systems Biology /7./. 21.06.2017-24.06.2017, Nové Hrady]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963 ; RVO:61388971
Keywords : QM/MM * NMR * hOGG1 * enzymatic catalysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0272941 - 6.0457097 - ÚOCHB 2016 IT eng A - Abstract
Šebera, Jakub - Trantírek, L. - Tanaka, Y. - Nencka, Radim - Fukal, J. - Sychrovský, Vladimír
The activation of N-glycosidic bond cleavage operated by hOGG1 enzyme can be specifically controlled by electrophilicity/nucleophilicity of the glycosidic nitrogen of normal/damaged nucleosides.
TheoBio2015. 7th International Theoretical Biophysics Symposium. Cagliari: -, 2015. P29.
[TheoBio2015. International Theoretical Biophysics Symposium /7./. 08.06.2015-12.06.2015, Cagliari]
Institutional support: RVO:61388963
Keywords : hOGG1 * DFT * glycosidic nitrogen
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257531 - 7.0457096 - ÚOCHB 2016 IT eng A - Abstract
Šebera, Jakub - Burda, J. V. - Straka, Michal - Ono, A. - Kojima, C. - Tanaka, Y. - Sychrovský, Vladimír
Theoretical study of formation of a T-Hg(II)-T metal-mediated DNA base pair.
TheoBio2015. 7th International Theoretical Biophysics Symposium. Cagliari: -, 2015. P28.
[TheoBio2015. International Theoretical Biophysics Symposium /7./. 08.06.2015-12.06.2015, Cagliari]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : T-Hg-T * DFT * reaction pathway
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257528 - 8.0457069 - ÚOCHB 2016 CZ eng A - Abstract
Šebera, Jakub - Nencka, Radim - Trantírek, L. - Tanaka, Y. - Sychrovský, Vladimír
Catalytic mechanism of the hOGG1 base-excision repair enzyme; the theoretical modeling of reaction pathway.
Modeling Interactions in Biomolecules 7th. Praha: MATFYZPRESS, 2015 - (Burda, J.). s. 73. ISBN 978-80-7378-303-7.
[Modeling Interactions in Biomolecules /7./. 14.09.2015-18.09.2015, Praha]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : hOGG1 * DFT * enzyme
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257513 - 9.0443470 - ÚOCHB 2016 CZ eng A - Abstract
Šebera, Jakub - Trantírek, L. - Tanaka, Y. - Nencka, Radim - Fukal, J. - Sychrovský, Vladimír
The activation of N-glycosidic bond cleavage operated by hOGG1 enzyme can be specifically controlled by electrophilicity/nucleophilicity of the glycosidic nitrogen of normal/damaged nucleosides.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 22, č. 1 (2015), s. 23-24. ISSN 1211-5894.
[Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /13./. 19.03.2015-21.03.2015, Nové Hrady]
Institutional support: RVO:61388963
Keywords : OxoG * glycosidic nitrogen * hOGG1 * FapyG
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0246291 - 10.0433565 - ÚOCHB 2015 HU eng A - Abstract
Šebera, Jakub - Humpolíčková, Jana - Hof, Martin - Kratochvílová, Irena - Páv, Ondřej - Rosenberg, Ivan - Nencka, Radim - Tanaka, Y. - Sychrovský, Vladimír
The theoretical study of charge transfer through damaged DNA duplexes.
CESTC 2014. Central European Symposium on Theoretical Chemistry. Nagybörzsöny: -, 2014.
[CESTC 2014. Central European Symposium on Theoretical Chemistry. 21.09.2014-25.09.2014, Nagybörzsöny]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963 ; RVO:61388955 ; RVO:68378271
Keywords : charge transfer * 8-oxoguanine * fluorescence spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0237795