Search Results - Řezáč, Jan

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  1. 1
    Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations

    Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations by Řezáč, Jan, Hobza, Pavel, Harris, Sarah A.

    Published 2010
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  2. 2
    S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

    S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures by Řezáč, Jan, Riley, Kevin E., Hobza, Pavel

    Published 2011
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  3. 3
    Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures”

    Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures” by Řezáč, Jan, Riley, Kevin E., Hobza, Pavel

    Published 2014
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  4. 4
    The accuracy of quantum chemical methods for large noncovalent complexes

    The accuracy of quantum chemical methods for large noncovalent complexes by Sedlak, Robert, Janowski, Tomasz, Pitoňák, Michal, Řezáč, Jan, Pulay, Peter, Hobza, Pavel

    Published 2013
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  5. 5
    Surface residues dynamically organize water bridges to enhance electron transfer between proteins

    Surface residues dynamically organize water bridges to enhance electron transfer between proteins by de la Lande, Aurélien, Babcock, Nathan S., Řezáč, Jan, Sanders, Barry C., Salahub, Dennis R.

    Published 2010
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  6. 6
    Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

    Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking by Ajani, Haresh, Pecina, Adam, Eyrilmez, Saltuk M., Fanfrlík, Jindřich, Haldar, Susanta, Řezáč, Jan, Hobza, Pavel, Lepšík, Martin

    Published 2017
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  7. 7
    A dual-fMRI investigation of the iterated Ultimatum Game reveals that reciprocal behaviour is associated with neural alignment

    A dual-fMRI investigation of the iterated Ultimatum Game reveals that reciprocal behaviour is associated with neural alignment by Shaw, Daniel J., Czekóová, Kristína, Staněk, Rostislav, Mareček, Radek, Urbánek, Tomáš, Špalek, Jiří, Kopečková, Lenka, Řezáč, Jan, Brázdil, Milan

    Published 2018
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  8. 8
    Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic

    Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic by Le Poul, Nicolas, Colasson, Benoit, Thiabaud, Grégory, Dit Fouque, Dany Jeanne, Iacobucci, Claudio, Memboeuf, Antony, Douziech, Bénédicte, Řezáč, Jan, Prangé, Thierry, de la Lande, Aurélien, Reinaud, Olivia, Le Mest, Yves

    Published 2018
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  9. 9
    QM/MM Calculations with deMon2k

    QM/MM Calculations with deMon2k by Salahub, Dennis R., Noskov, Sergei Yu., Lev, Bogdan, Zhang, Rui, Ngo, Van, Goursot, Annick, Calaminici, Patrizia, Köster, Andreas M., Alvarez-Ibarra, Aurelio, Mejía-Rodríguez, Daniel, Řezáč, Jan, Cailliez, Fabien, de la Lande, Aurélien

    Published 2015
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