Search results
- 1.0382707 - ÚOCHB 2013 RIV DE eng J - Journal Article
Fonville, J. M. - Swart, M. - Vokáčová, Zuzana - Sychrovský, Vladimír - Šponer, Judit E. - Šponer, Jiří - Hilbers, C. W. - Bickelhaupt, F. M. - Wijmenga, S. S.
Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment.
Chemistry - A European Journal. Roč. 18, č. 39 (2012), s. 12372-12387. ISSN 0947-6539. E-ISSN 1521-3765
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50040702; CEZ:AV0Z50040507
Keywords : density functional calculations * NMR spectroscopy * nucleic acids * structure elucidation
Subject RIV: CF - Physical ; Theoretical Chemistry; BO - Biophysics (BFU-R)
Impact factor: 5.831, year: 2012
Permanent Link: http://hdl.handle.net/11104/0212851 - 2.0379080 - ÚOCHB 2013 RIV US eng J - Journal Article
Benda, Ladislav - Sochorová Vokáčová, Zuzana - Straka, Michal - Sychrovský, Vladimír
Correlating the P-31 NMR Chemical Shielding Tensor and the (2)J(P,C) Spin-Spin Coupling Constants with Torsion Angles zeta and alpha in the Backbone of Nucleic Acids.
Journal of Physical Chemistry B. Roč. 116, č. 12 (2012), s. 3823-3833. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GAP205/10/0228; GA ČR GPP208/10/P398; GA ČR GA203/09/2037
Institutional research plan: CEZ:AV0Z40550506
Keywords : nucleic acids * phosphorus NMR * NMR calculations * cross-correlated relaxation * spin–spin coupling constants
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007102 - 3.0379079 - ÚOCHB 2013 RIV US eng J - Journal Article
Sychrovský, Vladimír - Sochorová Vokáčová, Zuzana - Trantírek, L.
Guanine Bases in DNA G-Quadruplex Adopt Nonplanar Geometries Owing to Solvation and Base Pairing.
Journal of Physical Chemistry A. Roč. 116, č. 16 (2012), s. 4144-4151. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506
Keywords : pyramidalization * nonplanarity * G-quadruplex * DNA * solvent effect
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.771, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007101 - 4.0347407 - ÚOCHB 2011 RIV US eng J - Journal Article
Vokáčová, Zuzana - Trantírek, Lukáš - Sychrovský, Vladimír
Evaluating the Effects of the Nonplanarity of Nucleic Acid Bases on NMR, IR, and Vibrational Circular Dichroism Spectra: A Density Functional Theory Computational Study.
Journal of Physical Chemistry A. Roč. 114, č. 37 (2010), s. 10202-10208. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GPP208/10/P398; GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z60220518
Keywords : 3J(C8/6-H1' * 3JC4/2-H1' * VCDS
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006022 - 5.0342650 - FZÚ 2011 RIV US eng J - Journal Article
Kratochvílová, Irena - Todorciuc, Tatiana - Král, Karel - Němec, Hynek - Bunček, M. - Šebera, Jakub - Záliš, Stanislav - Vokáčová, Zuzana - Sychrovský, Vladimír - Bednárová, Lucie - Mojzeš, P. - Schneider, Bohdan
Charge transport in DNA oligonucleotides with various base-pairing patterns.
Journal of Physical Chemistry B. Roč. 114, č. 15 (2010), 5196–5205. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/1594; GA AV ČR KAN401770651; GA MŠMT OC 137; GA ČR GA202/07/0643; GA AV ČR IAA400550701; GA AV ČR KAN200100801; GA AV ČR KAN100400702; GA ČR GA202/09/0193
Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40500505; CEZ:AV0Z40400503; CEZ:AV0Z40550506; CEZ:AV0Z50520701
Keywords : DNA * charge transport * Scanning Tunneling Microscopy
Subject RIV: CC - Organic Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005881 - 6.0334873 - ÚOCHB 2010 RIV GB eng J - Journal Article
Sychrovský, Vladimír - Foldynová-Trantírková, Silvie - Špačková, Naďa - Robeyns, K. - Meervelt van, L. - Blankenfeldt, W. - Vokáčová, Zuzana - Šponer, Jiří - Trantírek, Lukáš
Revisiting the planarity of nucleic acid bases: Pyramidilization at glycosidic nitrogen in purine bases is modulated by orientation of glycosidic torsion.
Nucleic Acids Research. Roč. 37, č. 21 (2009), s. 7321-7331. ISSN 0305-1048. E-ISSN 1362-4962
R&D Projects: GA AV ČR(CZ) IAA400040802; GA AV ČR IAA400550701; GA ČR GA203/09/1476; GA MŠMT(CZ) LC06030; GA AV ČR KAN200100801
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z60220518; CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : pyrimidalization * glycosidic torion angle
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 7.479, year: 2009
Permanent Link: http://hdl.handle.net/11104/0179490 - 7.0329620 - ÚOCHB 2010 RIV US eng J - Journal Article
Vokáčová, Zuzana - Bickelhaupt, F. M. - Šponer, Jiří - Sychrovský, Vladimír
Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging.
Journal of Physical Chemistry A. Roč. 113, č. 29 (2009), s. 8379-8386. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550701
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50040702
Keywords : guanosin * DFT * J-coupling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005458 - 8.0322864 - ÚOCHB 2009 RIV US eng J - Journal Article
Vokáčová, Zuzana - Buděšínský, Miloš - Rosenberg, Ivan - Schneider, Bohdan - Šponer, Jiří - Sychrovský, Vladimír
Structure and dynamics of the ApA, ApC, CpA and CpC RNA dinucleoside monophosphates resolved with NMR scalar spin-spin couplings.
[Studie struktury a dynamiky dinukleosidů monofosfátů (ApA, ApC, CpA, CpC) nukleární magnetickou rezonancí.]
Journal of Physical Chemistry B. Roč. 113, č. 4 (2009), s. 1182-1191. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA AV ČR IAA400550701
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50040507; CEZ:AV0Z50520701
Keywords : RNA * NMR * MD
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005145 - 9.0318555 - BFÚ 2009 RIV US eng J - Journal Article
Vokáčová, Zuzana - Šponer, Jiří - Šponer, Judit E. - Sychrovský, Vladimír
Theoretical study of the scalar coupling constants across the noncovalent contacts in RNA base pairs: The cis- and trans-Watson-Crick/sugar edge base pair family.
[Teoretická studie skalárních coupling konstant v nekovalentních kontaktech RNA párů bází: cis a trans páry bází rodiny Watson-Crick/sugar edge.]
Journal of Physical Chemistry B. Roč. 111, č. 36 (2007), s. 10813-10824. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA203/05/0388; GA ČR(CZ) GA203/06/0420; GA AV ČR(CZ) IAA400550701; GA MŠMT(CZ) LC06030
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702; CEZ:AV0Z40550506
Keywords : RNA base pairs * NMR spin-spin coupling constant * theoretical calculations
Subject RIV: BO - Biophysics
Impact factor: 4.086, year: 2007
Permanent Link: http://hdl.handle.net/11104/0004969 - 10.0316707 - ÚOCHB 2009 RIV NL eng J - Journal Article
Brumovská, E. - Sychrovský, Vladimír - Vokáčová, Zuzana - Šponer, Jiří - Schneider, Bohdan - Trantírek, Lukáš
Effect of local sugar and base geometry on 13C and 15N magnetic shielding anisotropy in DNA nucleosides.
[Vliv lokální geometrie cukru a báze na anizotropii chemického stínění na 13C a 15N v DNA.]
Journal of Biomolecular NMR. Roč. 42, č. 3 (2008), s. 209-223. ISSN 0925-2738. E-ISSN 1573-5001
R&D Projects: GA AV ČR IAA400550701
Grant - others:GA AV ČR(CZ) KAN200100801
Program: KA
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z60220518; CEZ:AV0Z50040702; CEZ:AV0Z50520701
Keywords : magnetic shielding * chemical shift anisotropy * DNA
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.492, year: 2008
Permanent Link: http://hdl.handle.net/11104/0166547