Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics
Banáš, Pavel, Mládek, Arnošt, Otyepka, Michal, Zgarbová, Marie, Jurečka, Petr, Svozil, Daniel, Lankaš, Filip, Šponer, Jiří
Published in Journal of chemical theory and computation (10.07.2012)
Published in Journal of chemical theory and computation (10.07.2012)
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Journal Article
Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine
Zelený, Tomáš, Ruckenbauer, Matthias, Aquino, Adelia J.A, Müller, Thomas, Lankaš, Filip, Dršata, Tomáš, Hase, William L, Nachtigallova, Dana, Lischka, Hans
Published in Journal of the American Chemical Society (22.08.2012)
Published in Journal of the American Chemical Society (22.08.2012)
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Journal Article
Understanding RNA Flexibility Using Explicit Solvent Simulations: The Ribosomal and Group I Intron Reverse Kink-Turn Motifs
Sklenovský, Petr, Florová, Petra, Banáš, Pavel, Réblová, Kamila, Lankaš, Filip, Otyepka, Michal, Šponer, Jiří
Published in Journal of chemical theory and computation (13.09.2011)
Published in Journal of chemical theory and computation (13.09.2011)
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Journal Article
Molecular Dynamics Simulations and Thermodynamics Analysis of DNA−Drug Complexes. Minor Groove Binding between 4‘,6-Diamidino-2-phenylindole and DNA Duplexes in Solution
Špačková, Nad'a, Cheatham, Thomas E, Ryjáček, Filip, Lankaš, Filip, van Meervelt, Luc, Hobza, Pavel, Šponer, Jiří
Published in Journal of the American Chemical Society (19.02.2003)
Published in Journal of the American Chemical Society (19.02.2003)
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Journal Article
Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA
Zgarbová, Marie, Otyepka, Michal, Šponer, Jiří, Lankaš, Filip, Jurečka, Petr
Published in Journal of chemical theory and computation (12.08.2014)
Published in Journal of chemical theory and computation (12.08.2014)
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Journal Article
The temperature dependence of the helical twist of DNA
Kriegel, Franziska, Matek, Christian, Dršata, Tomáš, Kulenkampff, Klara, Tschirpke, Sophie, Zacharias, Martin, Lankaš, Filip, Lipfert, Jan
Published in Nucleic acids research (06.09.2018)
Published in Nucleic acids research (06.09.2018)
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Journal Article
Temperature-Dependent Twist of Double-Stranded RNA Probed by Magnetic Tweezer Experiments and Molecular Dynamics Simulations
Dohnalová, Hana, Seifert, Mona, Matoušková, Eva, Klein, Misha, Papini, Flávia S., Lipfert, Jan, Dulin, David, Lankaš, Filip
Published in The journal of physical chemistry. B (25.01.2024)
Published in The journal of physical chemistry. B (25.01.2024)
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Journal Article
Compensatory Mechanisms in Temperature Dependence of DNA Double Helical Structure: Bending and Elongation
Dohnalová, Hana, Dršata, Tomáš, Šponer, Jiří, Zacharias, Martin, Lipfert, Jan, Lankaš, Filip
Published in Journal of chemical theory and computation (14.04.2020)
Published in Journal of chemical theory and computation (14.04.2020)
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Journal Article
Structure, Stiffness and Substates of the Dickerson-Drew Dodecamer
Dršata, Tomáš, Pérez, Alberto, Orozco, Modesto, Morozov, Alexandre V, Šponer, Jiří, Lankaš, Filip
Published in Journal of chemical theory and computation (08.01.2013)
Published in Journal of chemical theory and computation (08.01.2013)
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Journal Article
Impact of the Nucleosome Histone Core on the Structure and Dynamics of DNA-Containing Pyrimidine–Pyrimidone (6–4) Photoproduct
Matoušková, Eva, Bignon, Emmanuelle, Claerbout, Victor E. P, Dršata, Tomáš, Gillet, Natacha, Monari, Antonio, Dumont, Elise, Lankaš, Filip
Published in Journal of chemical theory and computation (08.09.2020)
Published in Journal of chemical theory and computation (08.09.2020)
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Journal Article
Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences
Zgarbová, Marie, Jurečka, Petr, Lankaš, Filip, Cheatham, Thomas E, Šponer, Jiří, Otyepka, Michal
Published in Journal of chemical information and modeling (27.02.2017)
Published in Journal of chemical information and modeling (27.02.2017)
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Journal Article
DNA Deformability at the Base Pair Level
Lankaš, Filip, Šponer, Jiří, Langowski, Jörg, Cheatham, Thomas E
Published in Journal of the American Chemical Society (07.04.2004)
Published in Journal of the American Chemical Society (07.04.2004)
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Journal Article
Long-timescale dynamics of the Drew-Dickerson dodecamer
Dans, Pablo D, Danilāne, Linda, Ivani, Ivan, Dršata, Tomáš, Lankaš, Filip, Hospital, Adam, Walther, Jürgen, Pujagut, Ricard Illa, Battistini, Federica, Gelpí, Josep Lluis, Lavery, Richard, Orozco, Modesto
Published in Nucleic acids research (19.05.2016)
Published in Nucleic acids research (19.05.2016)
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