Search results
- 1.0476445 - 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 - 2.0476441 - 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 - 3.0457096 - 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 - 4.0457069 - 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 - 5.0433565 - 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 - 6.0429629 - ÚOCHB 2015 PL eng A - Abstract
Šebera, Jakub - Burda, J. V. - Straka, Michal - Ono, A. - Kojima, C. - Tanaka, Y. - Sychrovský, Vladimír
Formation of a T-Hg(II)-T metal-mediated DNA base pair: theoretical calculation of the reaction pathway.
Modeling & Design of Molecular Materials 2014. Kudowa Zdrój: -, 2014. P60B.
[Modeling & Design of Molecular Materials 2014. 29.06.2014-03.07.2014, Kudowa Zdrój]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : ONIOM * T-Hg-T * reaction pathway
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0234734 - 7.0429628 - ÚOCHB 2015 PL eng A - Abstract
Šebera, Jakub - Trantírek, L. - Tanaka, Y. - Sychrovský, Vladimír
Theoretical study of repairing function of hOGG1 enzyme.
Modeling & Design of Molecular Materials 2014. Kudowa Zdrój: -, 2014. P36A.
[Modeling & Design of Molecular Materials 2014. 29.06.2014-03.07.2014, Kudowa Zdrój]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : hOGG1 * glycosidic nitrogen * 8-oxoguanine
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0234733 - 8.0429625 - ÚOCHB 2015 CZ eng A - Abstract
Šebera, Jakub - Nencka, Radim - Trantírek, L. - Tanaka, Y. - Sychrovský, Vladimír
The catalytic mechanism of hOGG1 base-excision repair enzyme; the theoretical modeling of reaction channels and substrate activation.
4th Visegrad Symposium on Structural Systems Biology. Nové Hrady: -, 2014.
[Visegrad Symposium on Structural Systems Biology /4./. 17.06.2014-20.06.2014, Nové Hrady]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : hOGG1 * enzyme catalysis * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0234731 - 9.0428292 - ÚOCHB 2015 CZ eng A - Abstract
Šebera, Jakub - Dračínský, Martin - Nencka, Radim - Trantírek, L. - Tanaka, Y. - Sychrovský, Vladimír
Detecting pyramidal state of the glycosidic nitrogen in 8-oxo-2'-deoxyguanosine; theoretical study of 15N NMR parameters.
29th NMR Valtice. Central European NMR Meeting (Theoretical NMR Predictions for Guiding Experiments). Brno: Masaryk University, 2014 - (Novotný, J.; Foroutan-Nejad, C.; Marek, R.). C7. ISBN 978-80-86441-45-0.
[NMR Valtice. Central European NMR Meeting /29./. 27.4.-30.4.2014, Valtice]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : hOGG1 enzyme * OxoG * NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0233660 - 10.0397344 - ÚOCHB 2014 GB eng A - Abstract
Šebera, Jakub - Sychrovský, Vladimír - Trantírek, L. - Tanaka, Y.
Pyramidalization of the Glycosidic Nitrogen Provides the Way for Efficient Cleavage of 8-OxoG with the hOGG1 DNA Repair Protein.
15th International Conference on Density Functional Theory and its Applications. Durham: -, 2013. s. 183-183.
[International Conference on Density Functional Theory and its Applications /15./. 09.09.2013-13.09.2013, Durham]
R&D Projects: GA ČR GA13-27676S; GA ČR GAP205/10/0228
Institutional support: RVO:61388963
Keywords : hOGG1 * DFT * enzymatic catalysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0224935