HNCO-based synthesis of formamide in planetary atmospheres
Ferus, M., Laitl, V., Knizek, A., Kubelík, P., Sponer, J., Kára, J., Sponer, J. E., Lefloch, B., Cassone, G., Civiš, S.
Published in Astronomy and astrophysics (Berlin) (01.08.2018)
Published in Astronomy and astrophysics (Berlin) (01.08.2018)
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Prebiotic synthesis initiated in formaldehyde by laser plasma simulating high-velocity impacts
Ferus, M., Pietrucci, F., Saitta, A. M., Ivanek, O., Knizek, A., Kubelík, P., Krus, M., Juha, L., Dudzak, R., Dostál, J., Pastorek, A., Petera, L., Hrncirova, J., Saeidfirozeh, H., Shestivská, V., Sponer, J., Sponer, J. E., Rimmer, P., Civiš, S., Cassone, G.
Published in Astronomy and astrophysics (Berlin) (01.06.2019)
Published in Astronomy and astrophysics (Berlin) (01.06.2019)
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Journal Article
Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein–RNA Complexes?
Krepl, M, Havrila, M, Stadlbauer, P, Banas, P, Otyepka, M, Pasulka, J, Stefl, R, Sponer, J
Published in Journal of chemical theory and computation (10.03.2015)
Published in Journal of chemical theory and computation (10.03.2015)
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Journal Article
Stacked and H‑Bonded Cytosine Dimers. Analysis of the Intermolecular Interaction Energies by Parallel Quantum Chemistry and Polarizable Molecular Mechanics
Gresh, Nohad, Sponer, Judit E, Devereux, Mike, Gkionis, Konstantinos, de Courcy, Benoit, Piquemal, Jean-Philip, Sponer, Jiri
Published in The journal of physical chemistry. B (30.07.2015)
Published in The journal of physical chemistry. B (30.07.2015)
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Journal Article
measure of bending in nucleic acids structures applied to A-tract DNA
Lankaš, F, Špačková, N, Moakher, M, Enkhbayar, P, Šponer, J
Published in Nucleic acids research (01.06.2010)
Published in Nucleic acids research (01.06.2010)
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Journal Article
Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study
Řeha, David, Kabeláč, Martin, Ryjáček, Filip, Šponer, Jiří, Šponer, Judit E, Elstner, Marcus, Suhai, Sándor, Hobza, Pavel
Published in Journal of the American Chemical Society (03.04.2002)
Published in Journal of the American Chemical Society (03.04.2002)
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Journal Article
Theoretical Study of Binding of Hydrated Zn(II) and Mg(II) Cations to 5‘-Guanosine Monophosphate. Toward Polarizable Molecular Mechanics for DNA and RNA
Gresh, Nohad, Šponer, Judit E, Špačková, Nad'a, Leszczynski, Jerzy, Šponer, Jiři
Published in The journal of physical chemistry. B (21.08.2003)
Published in The journal of physical chemistry. B (21.08.2003)
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Journal Article
Non-Watson−Crick Base Pairing in RNA. Quantum Chemical Analysis of the cis Watson−Crick/Sugar Edge Base Pair Family
Šponer, Judit E, Špačková, Nad'a, Kulhánek, Petr, Leszczynski, Jerzy, Šponer, Jiří
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2005)
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Journal Article
Understanding the Sequence Preference of Recurrent RNA Building Blocks Using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform
Mládek, Arnošt, Šponer, Judit E, Kulhánek, Petr, Lu, Xiang-Jun, Olson, Wilma K, Šponer, Jiří
Published in Journal of chemical theory and computation (10.01.2012)
Published in Journal of chemical theory and computation (10.01.2012)
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Journal Article
Metal-Stabilized Rare Tautomers and Mispairs of DNA Bases: N6-Metalated Adenine and N4-Metalated Cytosine, Theoretical and Experimental Views
Šponer, Jiří, Šponer, Judit E, Gorb, Leonid, Leszczynski, Jerzy, Lippert, Bernhard
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.12.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.12.1999)
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Journal Article
Conformational Energies of DNA Sugar−Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics
Mládek, Arnošt, Šponer, Judit E, Jurečka, Petr, Banáš, Pavel, Otyepka, Michal, Svozil, Daniel, Šponer, Jiří
Published in Journal of chemical theory and computation (14.12.2010)
Published in Journal of chemical theory and computation (14.12.2010)
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Journal Article
On the Geometry, Electronic Structure and Hydrolytic Stability of the As-DNA Backbone
Mladek, A, Sponer, J, Sumpter, B G, Fuentes-Cabrera, M, Sponer, JE
Published in Journal of biomolecular structure & dynamics (01.06.2011)
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Published in Journal of biomolecular structure & dynamics (01.06.2011)
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