Search results
- 1.0359107 - ÚOCHB 2012 RIV US eng J - Journal Article
Benda, Ladislav - Schneider, Bohdan - Sychrovský, Vladimír
Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation.
Journal of Physical Chemistry A. Roč. 115, č. 11 (2011), s. 2385-2395. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550701; GA ČR GAP205/10/0228
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50520701
Keywords : nucleic acids * phosphate * NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006424 - 2.0352921 - ÚOCHB 2011 RIV US eng J - Journal Article
Andrushchenko, Valery - Bouř, Petr
Applications of the Cartesian Coordinate Tensor Transfer Technique in the Simulations of Vibrational Circular Dichroism Spectra of Oligonucleotides.
Chirality. Roč. 22, 1E (2010), E96-E114. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR GA203/01/0031; GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA4055104; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA ČR GAP208/10/0559
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism * nucleic acids * peptides * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.892, year: 2010
Permanent Link: http://hdl.handle.net/11104/0192308 - 3.0348930 - ÚOCHB 2011 RIV DE eng J - Journal Article
Gauger, D. R. - Andrushchenko, Valery - Bouř, Petr - Pohle, W.
A spectroscopic method to estimate the binding potency of amphiphile assemblies.
Analytical and Bioanalytical Chemistry. Roč. 398, č. 2 (2010), s. 1109-1123. ISSN 1618-2642. E-ISSN 1618-2650
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA ČR GAP208/10/0559; GA AV ČR IAA400550702; GA AV ČR IAA400550701
Institutional research plan: CEZ:AV0Z40550506
Keywords : miccels * amphiphile assemblies * molecular dynamics * infrared spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.841, year: 2010
Permanent Link: http://hdl.handle.net/11104/0189312 - 4.0342841 - ÚOCHB 2011 RIV US eng J - Journal Article
Kapitán, J. - Dračínský, Martin - Kaminský, Jakub - Benda, Ladislav - Bouř, Petr
Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water.
Journal of Physical Chemistry B. Roč. 114, č. 10 (2010), s. 3574-3582. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA ČR GPP208/10/P356
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman spectroscopy * theoretical modelling * CPMD
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005891 - 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 - 6.0341004 - BFÚ 2010 RIV DE eng J - Journal Article
Šponer, Judit E. - Vázquez-Mayagoitia, Á. - Sumpter, B.G. - Leszczynski, J. - Šponer, Jiří - Otyepka, M. - Banáš, P. - Fuentes-Cabrera, M.
Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues.
Chemistry - A European Journal. Roč. 16, č. 10 (2010), s. 3057-3065. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT(CZ) LC06030; GA AV ČR(CZ) 1QS500040581; GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GA203/09/1476
Grant - others:GA MŠk(CZ) LC512; GA AV ČR(CZ) IAA400550701; GA ČR(CZ) GD203/09/H046
Program: LC; IA; GD
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : quantum chemistry * base pairing * origin of life
Subject RIV: BO - Biophysics
Impact factor: 5.476, year: 2010
Permanent Link: http://hdl.handle.net/11104/0184121 - 7.0334873 - 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 - 8.0330100 - BFÚ 2010 RIV GB eng J - Journal Article
Zirbel, C.L. - Šponer, Judit E. - Šponer, Jiří - Stombaugh, J. - Leontis, N.B.
Classification and energetics of the base-phosphate interactions in RNA.
[Klasifikace a energetika báze-fosfátových interakcí v RNA.]
Nucleic Acids Research. Roč. 37, č. 15 (2009), s. 4898-4918. ISSN 0305-1048. E-ISSN 1362-4962
R&D Projects: GA AV ČR(CZ) IAA400550701; GA AV ČR(CZ) IAA400040802; GA AV ČR(CZ) 1QS500040581; GA MŠMT(CZ) LC06030
Grant - others:GA ČR(CZ) GA203/09/1476
Program: GA
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : RNA * base * phosphate
Subject RIV: BO - Biophysics
Impact factor: 7.479, year: 2009
Permanent Link: http://hdl.handle.net/11104/0175964 - 9.0329859 - ÚOCHB 2010 RIV US eng J - Journal Article
Hyvärinen, M. - Vaara, J. - Goldammer, A. - Kutzky, B. - Hegetschweiler, K. - Kaupp, M. - Straka, Michal
Characteristic spin - orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes.
Journal of the American Chemical Society. Roč. 131, č. 33 (2009), s. 11909-11918. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA203/09/2037; GA ČR GA202/07/0732; GA AV ČR IAA400550701; GA AV ČR IAA400550705
Institutional research plan: CEZ:AV0Z40550506
Keywords : relativistic effects * 1H NMR * theoretical calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 8.580, year: 2009
Permanent Link: http://hdl.handle.net/11104/0175776 - 10.0329620 - 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