Search Results - Csizi, Katja-Sophia

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  1. 1
    Automated preparation of nanoscopic structures: Graph‐based sequence analysis, mismatch detection, and pH‐consistent protonation with uncertainty estimates

    Automated preparation of nanoscopic structures: Graph‐based sequence analysis, mismatch detection, and pH‐consistent protonation with uncertainty estimates by Csizi, Katja‐Sophia, Reiher, Markus

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  2. 2
    Universal QM/MM approaches for general nanoscale applications

    Universal QM/MM approaches for general nanoscale applications by Csizi, Katja‐Sophia, Reiher, Markus

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  3. 3
    The Apparently Unreactive Substrate Facilitates the Electron Transfer for Dioxygen Activation in Rieske Dioxygenases

    The Apparently Unreactive Substrate Facilitates the Electron Transfer for Dioxygen Activation in Rieske Dioxygenases by Csizi, Katja‐Sophia, Eckert, Lina, Brunken, Christoph, Hofstetter, Thomas B., Reiher, Markus

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  4. 4
    Complex chemical reaction networks for future information processing

    Complex chemical reaction networks for future information processing by Csizi, Katja-Sophia, Lörtscher, Emanuel

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  5. 5
    Nanoscale chemical reaction exploration with a quantum magnifying glass

    Nanoscale chemical reaction exploration with a quantum magnifying glass by Csizi, Katja-Sophia, Steiner, Miguel, Reiher, Markus

    Published in Nature communications
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  6. 6
    SCINE—Software for chemical interaction networks

    SCINE—Software for chemical interaction networks by Weymuth, Thomas, Unsleber, Jan P., Türtscher, Paul L., Steiner, Miguel, Sobez, Jan-Grimo, Müller, Charlotte H., Mörchen, Maximilian, Klasovita, Veronika, Grimmel, Stephanie A., Eckhoff, Marco, Csizi, Katja-Sophia, Bosia, Francesco, Bensberg, Moritz, Reiher, Markus

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  7. 7
    Automated Preparation of Nanoscopic Structures: Graph-Based Sequence Analysis, Mismatch Detection, and pH-Consistent Protonation with Uncertainty Estimates

    Automated Preparation of Nanoscopic Structures: Graph-Based Sequence Analysis, Mismatch Detection, and pH-Consistent Protonation with Uncertainty Estimates by Katja-Sophia Csizi, Reiher, Markus

    Published in arXiv.org
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  8. 8
    Universal QM/MM Approaches for General Nanoscale Applications

    Universal QM/MM Approaches for General Nanoscale Applications by Katja-Sophia Csizi, Reiher, Markus

    Published in arXiv.org
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  9. 9
    SCINE -- Software for Chemical Interaction Networks

    SCINE -- Software for Chemical Interaction Networks by Weymuth, Thomas, Unsleber, Jan P, Tuertscher, Paul L, Steiner, Miguel, Jan-Grimo Sobez, Mueller, Charlotte H, Moerchen, Maximilian, Klasovita, Veronika, Grimmel, Stephanie A, Eckhoff, Marco, Katja-Sophia Csizi, Bosia, Francesco, Bensberg, Moritz, Reiher, Markus

    Published in arXiv.org
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  10. 10
    Mechanistic Insights Into Post-translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease

    Mechanistic Insights Into Post-translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease by Vagstad, Anna Lisa, Lakis, Edgars, Csizi, Katja-Sophia, Walls, William, Richter, Daniel, Lee, Kang Soo, Stocker, Roman, Gugger, Muriel, Broderick, William E, Broderick, Joan B, Reiher, Markus, Piel, Jörn

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  11. 11
    Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

    Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks by Müller, Charlotte H., Steiner, Miguel, Unsleber, Jan P., Weymuth, Thomas, Bensberg, Moritz, Csizi, Katja-Sophia, Mörchen, Maximilian, Türtscher, Paul L., Reiher, Markus

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  12. 12
    Open Shells in Endohedral Clusters: Structure and Bonding in the [Fe2@Ge16]4– Anion and Comparison to Isostructural [Co2@Ge16]4

    Open Shells in Endohedral Clusters: Structure and Bonding in the [Fe2@Ge16]4– Anion and Comparison to Isostructural [Co2@Ge16]4 by Morgan, Harry W. T, Csizi, Katja-Sophia, Huang, Ya-Shan, Sun, Zhong-Ming, McGrady, John E

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  13. 13
    Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

    Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks by Müller, Charlotte H, Steiner, Miguel, Unsleber, Jan P, Weymuth, Thomas, Bensberg, Moritz, Katja-Sophia Csizi, Mörchen, Maximilian, Türtscher, Paul L, Reiher, Markus

    Published in arXiv.org
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