Search results
- 1.0397344 - 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 - 2.0393895 - ÚOCHB 2014 BR eng A - Abstract
Daraku, T. - Furuita, K. - Šebera, Jakub - Yamanaka, D. - Kondo, Y. - Ono, A. - Katahira, R. - Bickelhaupt, F. M. - Sychrovský, Vladimír - Kojima, C. - Tanaka, Y.
199Hg Parameters in thymine-Hg-thymine metal mediated base pair.
18th ISMAR 2013 - 14th NMR Users Meeting - 5th Iberoamerican NMR Meeting Biomedical Imaging Symposium. Rio de Janeiro: -, 2013. s. 84-84.
[ISMAR Meeting /18./ - NMR Users Meeting /14./ - Iberoamerican NMR Meeting Biomedical Imaging Symposium /5./. 19.05.2013-24.05.2013, Rio de Janeiro]
R&D Projects: GA ČR GAP205/10/0228
Institutional support: RVO:61388963
Keywords : NMR * T-Hg-T * J-coupling
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0222290 - 3.0392854 - ÚOCHB 2014 CZ eng A - Abstract
Šebera, Jakub - Sugiyama, K. - Ono, A. - Mulder, J. - Bickelhaupt, F. M. - Tanaka, Y. - Sychrovský, Vladimír - Guerra, C. F.
Theoretical study of metal ion binding in modified and natural cytosine-cytosine base pairs.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 20, č. 1 (2013), s. 39-39. ISSN 1211-5894.
[Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /11./. 14.03.2013-16.03.2013, Nové Hrady]
R&D Projects: GA ČR GAP205/10/0228; GA ČR(CZ) GAP304/10/1951; GA TA ČR TA01011165
Institutional support: RVO:61388963
Keywords : DFT * NMR * base pair * metal-mediated
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0221625 - 4.0378628 - ÚOCHB 2013 ES eng A - Abstract
Šebera, Jakub - Sugiyama, K. - Ono, A. - Sychrovský, Vladimír
Theoretical Study of Metal Ion Binding in Modified Cytosine-Cytosine Base Pairs, Path to the DNA-based Nanotechnology Devices.
ESPA 2012. 8th Congress on Electronic Structure: Principles and Applications. Barcelona: -, 2012. s. 180-180.
[ESPA 2012. Congress on Electronic Structure: Principles and Applications /8./. 26.06.2012-29.06.2012, Barcelona]
R&D Projects: GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506
Keywords : metal-mediated base pairs * stabilization energy * DNA
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0210051 - 5.0376484 - ÚOCHB 2013 CZ eng A - Abstract
Šebera, Jakub - Trantírek, L. - Tanaka, Y. - Sychrovský, Vladimír
Quantum chemistry study of repairing function of hOGG1 enzyme.
Materials structure. Roč. 12, č. 1 (2012), s. 50-50. ISSN 1210-8529.
[10th Discussions in Structural Molecular Biology. 22.03.2012-24.03.2012, Nové Hrady]
R&D Projects: GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506
Keywords : hOGG1 enzyme * DFT * enzyme catalysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0208869 - 6.0364131 - ÚOCHB 2012 CZ eng A - Abstract
Benda, Ladislav - Tanaka, Y. - Sychrovský, Vladimír - Straka, Michal
Stabilizing Role of Metallophilic HgII . HgII Interactions in Nucleic Acids.
3rd Quantum Bioinorganic Chemistry Conference. Praha: -, 2011. s. 35-35.
[Quantum Bioinorganic Chemistry Conference /3./. 25.06.2011-28.06.2011, Český Krumlov]
R&D Projects: GA ČR GA203/09/2037; GA ČR GAP205/10/0228
Grant - others:European Reintegration Grant(XE) 230955
Institutional research plan: CEZ:AV0Z40550506
Keywords : metallophilic HgII . HgII interactions * mispairing nucleic acids * metallophilic interactions
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199692 - 7.0364076 - ÚOCHB 2012 CZ eng A - Abstract
Benda, Ladislav - Tanaka, Y. - Sychrovský, Vladimír - Straka, Michal
Metallophilic HgII...HgII interactions in nucleic acids.
Modeling Interactions in Biomolecules 5. Praha: Matfyzpress, 2011 - (Burda, J.). s. 62-62. ISBN 978-80-7378-180-4.
[Modeling Interactions in Biomolecules /5./. 04.09.2011-09.09.2011, Kutná Hora]
R&D Projects: GA ČR GA203/09/2037; GA ČR GAP205/10/0228
Grant - others:European Reintegration Grant(XE) 230955
Institutional research plan: CEZ:AV0Z40550506
Keywords : metallophilic HgII...HgII interactions * metallophilic interactions * base stacking * nucleic acids
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199652 - 8.0362720 - ÚOCHB 2012 ES eng A - Abstract
Šebera, Jakub - Trantírek, L. - Tanaka, T. - Sychrovský, Vladimír
DFT study of glycosidic bond cleavage of 8-oxoguanosine catalyzed by the human DNA repair protein hOGG1.
Ninth triennial congress of the world association of theoretical and computational chemists. Santiago de Compostela: -, 2011. PIII 090-PIII 090.
[Triennial congress of the world association of theoretical and computational chemists /9./. 17.07.2011-22.07.2011, Santiago de Compostela]
R&D Projects: GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506
Keywords : 8-oxoguanosine * B3LYP * enzymatic catalysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0198963 - 9.0360080 - ÚOCHB 2012 CZ eng A - Abstract
Chval, Z. - Kabeláč, Martin - Burda, J. V.
Mechanism of the oxaliplatin binding to the double-stranded 1,2-ds(pGpG) dinucleotide in aqueous solution.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 18, č. 1 (2011), s. 21-21. ISSN 1211-5894.
[Discussions in Structural Molecular Biology /9./. 24.03.2011-26.03.2011, Nové Hrady]
R&D Projects: GA ČR GAP205/10/0228; GA ČR GC204/09/J010
Grant - others:GA MŠk(CZ) ME09062; GA MŠk(CZ) ME10149
Institutional research plan: CEZ:AV0Z40550506
Keywords : ds(pGpG) * RI-DFT-D
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0197717 - 10.0351879 - ÚOCHB 2011 IT eng A - Abstract
Benda, Ladislav - Schneider, Bohdan - Sychrovský, Vladimír
Theoretical modeling of the metal ion effects on NMR parameters in nucleic acid backbone.
WWMR2010. Joint EUROMAR 2010 and 17th ISMAR Conference. Florence: -, 2010. s. 420-420.
[WWMR2010. Joint EUROMAR 2010 and ISMAR Conference /17./. 04.07.2010-09.07.2010, Florence]
R&D Projects: GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50520701
Keywords : nucleic acid phosphate * nucleic acids solvation * magnesium ion
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0191525