Electrocatalytic monitoring of peptidic proton-wires von Dor ák, V, Kabelá, M, Kroutil, O, Bedná ová, K, Vacek, J

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Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study von KABELAC, M, KROUTIL, O, PREDOTA, M, LANKAS, F, SIP, M

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Ultrafast Deactivation Processes in Aminopyridine Clusters:  Excitation Energy Dependence and Isotope Effects von Samoylova, E, Smith, Ritze, H.-H, Radloff, W, Kabelac, M, Schultz, T

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Photochemical Selectivity in Guanine-Cytosine Base-Pair Structures von Abo-Riziq, Ali, Grace, Louis, Nir, Eyal, Kabelac, Martin, Hobza, Pavel, de Vries, Mattanjah S., Levy, Donald H.

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Computational study of short-range interactions in bacteriochlorophyll aggregates von Alster, J., Kabeláč, M., Tuma, R., Pšenčík, J., Burda, J.V.

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Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment and in Aqueous Solution. Guanine:  Surprising Stabilization of... von Hanus, Michal, Ryjáček, Filip, Kabeláč, Martin, Kubař, Tomáš, Bogdan, Tetyana V, Trygubenko, Semen A, Hobza, Pavel

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Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum... von Řeha, David, Kabeláč, Martin, Ryjáček, Filip, Šponer, Jiří, Šponer, Judit E, Elstner, Marcus, Suhai, Sándor, Hobza, Pavel

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At Nonzero Temperatures, Stacked Structures of Methylated Nucleic Acid Base Pairs and Microhydrated Nonmethylated Nucleic Acid Base Pairs are Favored over Planar Hydrogen-Bonded St... von Kabeláč, Martin, Hobza, Pavel

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Potential Energy and Free Energy Surfaces of All Ten Canonical and Methylated Nucleic Acid Base Pairs:  Molecular Dynamics and Quantum Chemical ab Initio Studies von Kabeláč, Martin, Hobza, Pavel

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Potential Energy Surfaces of the Microhydrated Guanine⋅⋅⋅Cytosine Base Pair and its Methylated Analogue von Zendlová, Lucie, Hobza, Pavel, Kabeláč, Martin

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The mid-IR absorption spectrum of gas-phase clusters of the nucleobases guanine and cytosine von BAKKER, Joost M, COMPAGNON, Isabelle, MEIJER, Gerard, VON HELDEN, Gert, KABELAC, Martin, HOBZA, Pavel, DE VRIES, Mattanjah S

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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 int... von Hobza, Pavel, Kabeláč, Martin, Šponer, Jiří, Mejzlík, Petr, Vondrášek, Jiří

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Mutagenic Properties of 5-Halogenuracils:  Correlated Quantum Chemical ab Initio Study von Hanus, Michal, Kabeláč, Martin, Nachtigallová, Dana, Hobza, Pavel

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Isomer selective IR experiments and correlated ab initio quantum chemical calculations support planar H-bonded structure of the 7-methyl adenine…adenine and stacked structure of th... von KABELAC, M, PLÜTZER, Chr, KLEINERMANNS, K, HOBZA, P

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Simulations of Structure and Vibrational Spectra of Deoxyoctanucleotides von Bouř, Petr, Andrushchenko, Valery, Kabeláč, Martin, Maharaj, Vanitha, Wieser, Hal

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Potential Energy Surfaces of an Adenine−Thymine Base Pair and Its Methylated Analogue in the Presence of One and Two Water Molecules:  Molecular Mechanics and Correlated Ab Initio... von Kabeláč, Martin, Zendlová, Lucie, Řeha, David, Hobza, Pavel

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IR-UV double resonance spectroscopy of guanine-H2O clusters von Crews, Bridgit, Abo-Riziq, Ali, Grace, Louis, Callahan, Michael, Kabelác, Martin, Hobza, Pavel, de Vries, Mattanjah S

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Already two water molecules change planar H-bonded structures of the adenine…thymine base pair to the stacked ones: a molecular dynamics simulations study von KABELAC, Martin, RYJACEK, Filip, HOBZA, Pavel

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Correlated ab Initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, in a Microhydrated Environment, and in Aqueous Solution. Part 3. Adenine von Hanus, Michal, Kabeláč, Martin, Rejnek, Jaroslav, Ryjáček, Filip, Hobza, Pavel

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Structure-based design of inhibitors of NS3 serine protease of hepatitis C virus von Frecer, Vladimı́r, Kabeláč, Martin, De Nardi, Piergiuseppe, Pricl, Sabrina, Miertuš, Stanislav

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