Tomáš Zelený
Palacký University, Olomouc
4 Papers
106 Citations
Tomáš Zelený is an academic researcher from Palacký University, Olomouc. The author has contributed to research in topics: Hydrogen bond & Cytosine. The author has an hindex of 4, co-authored 4 publications. Previous affiliations of Tomáš Zelený include Academy of Sciences of the Czech Republic.
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Papers
Does Stacking Restrain the Photodynamics of Individual Nucleobases
Dana Nachtigallová,Tomáš Zelený,Matthias Ruckenbauer,Thomas Müller,Mario Barbatti,Pavel Hobza,Hans Lischka +6 more
TL;DR: Findings show that this type of hydrogen bond may play an important role for the photodynamics within one DNA strand and that it should be of interest even in irregular segments of double stranded nucleic acids structures.
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Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine
Tomáš Zelený,Matthias Ruckenbauer,Adelia J. A. Aquino,Adelia J. A. Aquino,Adelia J. A. Aquino,Thomas Müller,Filip Lankaš,Tomáš Dršata,William L. Hase,Dana Nachtigallová,Hans Lischka,Hans Lischka +11 more
TL;DR: These examples show that, in addition to phenomena related to electronic interactions between nucleobases, there also exist relatively simple mechanisms in DNA by which the lifetime of a nucleobase is significantly enhanced as compared to the gas phase.
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Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
TL;DR: In this paper, on-the-fly surface hopping nonadiabatic photodynamical simulations using hybrid quantum mechanical/molecular mechanical approach of 4-aminopyrimidine were performed to model the relaxation mechanism of adenine within DNA double strand.
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Microhydration of guanine...cytosine base pairs, a theoretical Study on the role of water in stability, structure and tautomeric equilibrium.
TL;DR: The interaction energies and geometries obtained by the second-order Møller-Plesset perturbation theory method and the much less computationally demanding DFT-D method are comparable, except for stacked complexes, where the interaction energies are overestimated on average by 3 kcal mol(-1) at the MP2 level.