2023 - Research.com Chemistry in Czech Republic Leader Award
2022 - Research.com Chemistry in Czech Republic Leader Award
Jiří Šponer mainly focuses on Crystallography, Molecular dynamics, Computational chemistry, Base pair and Ab initio. The various areas that Jiří Šponer examines in his Crystallography study include Thymine, Electronic correlation, Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid and Guanine. He has researched Molecular dynamics in several fields, including Molecule, G-quadruplex, DNA and Computational biology.
Jiří Šponer has included themes like Twist and Nucleic acid in his DNA study. His Computational chemistry study combines topics in areas such as Statistical physics and Atomic orbital. His work carried out in the field of Ab initio brings together such families of science as Nucleobase, Ab initio quantum chemistry methods, Intermolecular force, Stacking and Hartree–Fock method.
Jiří Šponer spends much of his time researching Molecular dynamics, Computational chemistry, Crystallography, Base pair and DNA. His Molecular dynamics research is multidisciplinary, incorporating elements of Chemical physics, Biophysics, Molecule and Nucleic acid. His Computational chemistry study combines topics from a wide range of disciplines, such as Ab initio, Nucleobase and Quantum chemical.
His Crystallography research includes elements of Cytosine, Stacking and Guanine. The concepts of his Stacking study are interwoven with issues in Quantum chemistry and Electronic correlation. The study incorporates disciplines such as Cation binding, Stereochemistry and Hydrogen bond in addition to Base pair.
His primary areas of investigation include Molecular dynamics, DNA, Chemical physics, Molecule and G-quadruplex. His Molecular dynamics research is classified as research in Computational chemistry. Jiří Šponer combines subjects such as Ion, Nucleobase and Structural stability with his study of Computational chemistry.
His work deals with themes such as Nucleic acid and Guanine, which intersect with DNA. His biological study spans a wide range of topics, including Intersystem crossing, Electronic structure and QM/MM. His study focuses on the intersection of Force field and fields such as Density functional theory with connections in the field of Ab initio.
Jiří Šponer mostly deals with Molecular dynamics, G-quadruplex, DNA, Chemical physics and Nucleic acid. His Molecular dynamics study focuses on Force field in particular. His DNA research is multidisciplinary, incorporating perspectives in Crystallography and Guanine.
His research in Chemical physics tackles topics such as Computational chemistry which are related to areas like Crystal structure, Parametrization, Ion and Structural stability. Nucleic acid is closely attributed to Hydrogen bond in his study. His study explores the link between Base pair and topics such as DNA sequencing that cross with problems in Molecular biology and Stacking.
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Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.
Petr Jurečka;Jiří Šponer;Jiří Černý;Pavel Hobza.
Physical Chemistry Chemical Physics (2006)
Structure, energetics, and dynamics of the nucleic Acid base pairs: nonempirical ab initio calculations.
Pavel Hobza;Jiří Šponer.
Chemical Reviews (1999)
Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles
Marie Zgarbová;Michal Otyepka;Michal Otyepka;Jiří Šponer;Jiří Šponer;Arnošt Mládek.
Journal of Chemical Theory and Computation (2011)
Density functional theory and molecular clusters
Pavel Hobza;Jiří šponer;Tomáš Reschel.
Journal of Computational Chemistry (1995)
Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases.
Jiří Šponer;Jiří Šponer;Jerzy Leszczynski;Pavel Hobza.
Nature of Nucleic Acid−Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs
Jiří Šponer;and Jerzy Leszczyński;Pavel Hobza.
The Journal of Physical Chemistry (1996)
Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation
Jiří Šponer;and Jerzy Leszczynski;Pavel Hobza.
The Journal of Physical Chemistry (1996)
Nature and magnitude of aromatic stacking of nucleic acid bases
Jiří Šponer;Kevin E. Riley;Pavel Hobza.
Physical Chemistry Chemical Physics (2008)
Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree–Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree–Fock results
Pavel Hobza;Martin Kabeláč;Jiří Šponer;Petr Mejzlík.
Journal of Computational Chemistry (1997)
Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA Hairpins
Pavel Banáš;Daniel Hollas;Marie Zgarbová;Petr Jurečka.
Journal of Chemical Theory and Computation (2010)
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