
prof. RNDr. Jiří Šponer, DrSc.
profesor – Národní centrum pro výzkum biomolekul
korespondenční adresa:
Kotlářská 267/2, 611 37 Brno
e‑mail: |
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Počet publikací: 213
2010
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On the Role of the cis Hoogsteen:Sugar-Edge Family of Base Pairs in Platforms and Triplets: Quantum Chemical Insights into RNA Structural Biology
Jouranl of Physical Chemistry B, rok: 2010, ročník: 114, vydání: -
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Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions.
Physical Chemistry Chemical Physics, rok: 2010, ročník: 14, vydání: -
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Structural Dynamics of the Box C/D RNA Kink-Turn and Its Complex with Proteins: The Role of the A-Minor 0 Interaction, Long-Residency Water Bridges, and Structural Ion-Binding Sites Revealed by Molecular Simulations
Jouranl of Physical Chemistry B, rok: 2010, ročník: 114, vydání: 32
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Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues
Chemistry – A European Journal, rok: 2010, ročník: 16, vydání: 10
2009
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Balance of Attraction and Repulsion in Nucleic Acid Base Stacking: CCSD(T)/Complete Basis Set Limit Calculations on Uracil Dimer and a Comparison with the Force Field Description
Journal of Chemical Theory and Computation, rok: 2009, ročník: 5, vydání: 1
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Classification and energetics of the base-phosphate interactions in RNA
Nucleic Acids Research, rok: 2009, ročník: 37, vydání: 15
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Dependence of A-RNA simulations on the choice of the force field and salt strength
Physical Chemistry Chemical Physics, rok: 2009, ročník: 11, vydání: -
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Effects of Restrained Sampling Space and Nonplanar Amino Groups on Free-Energy Predictions for RNA with Imino and Sheared Tandem GA Base Pairs Flanked by GC, CG, iGiC or iCIG Base Pairs
Journal of Chemical Theory and Computation, rok: 2009, ročník: 5, vydání: 8
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Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2OH Group of Ribose
Journal of Chemical Theory and Computation, rok: 2009, ročník: 5, vydání: 4
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Revisiting the planarity of nucleic acid bases: Pyramidilization at glycosidic nitrogen in purine bases is modulated by orientation of glycosidic torsion
Nucleic Acids Research, rok: 2009, ročník: 37, vydání: 21