Tomáš Kubař
21PUBLICATIONS
60CO-AUTHORS
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Publications (21)
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|Dec 22, 2025
Non-covalent Interactions at the QM-MM Interface in the Semiempirical and Density Functional Limit.Julian Böser, Qiang Cui, Marcus Elstner
|Oct 09, 2025
Multiscale Computational Workflow to Determine Stability of Disulfide Bridges in Proteins─Application to IgG Antibodies.Sani Idris Alhassan, Tomáš Kubař, Marcus Elstner
|Jul 08, 2025
Structural and environmental effects on the mechanism of biological proton-coupled electron transfer using DFTB/MM metadynamics.Katharina Spies, Leonie Pfeffer, Tomáš Kubař
|Jun 06, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.B Hourahine, M Berdakin, J A Bich
|Sep 03, 2024
Mechanism of activation and autophosphorylation of a histidine kinase.Mayukh Kansari, Fathia Idiris, Hendrik Szurmant
|May 17, 2023
Tracking the Electron Transfer Cascade in European Robin Cryptochrome 4 Mutants.Daniel Timmer, Anders Frederiksen, Daniel C Lünemann
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Frequent Collaborators
8 joint publications
Marcus Elstner
3 joint publications
Denis Maag
3 joint publications
Ulrich Kleinekathöfer
3 joint publications
Van-Quan Vuong
2 joint publications
Ben Hourahine
2 joint publications
Qiang Cui
2 joint publications
Frauke Gräter
2 joint publications
Anne S Ulrich
2 joint publications
Stephan Irle
1 joint publications
M Berdakin
