Matthias Stein

33PUBLICATIONS
38CO-AUTHORS
Characterisation of biological macromoleculesChemical and thermal processes in energy and combustionCheminformatics and quantitative structure-activity relationshipsOptical properties of materialsMolecular targets
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Publications (33)

|May 22, 2026
Structure-activity relationships of ATCUN-based Cu(II) complexes with large chelate rings: interplay of ROS generation, DNA binding, and nuclease activity.

|May 07, 2025
Fully Oxidized State of the Oxygen-Tolerant [NiFe] Hydrogenase from Hydrogenophilus thermoluteolus SH: A Quantum Mechanics Cluster and Quantum Mechanics/Molecular Mechanics Study.

Ravi Kumar, Andrés M Escorcia, Matthias Stein

|Mar 20, 2025
Molecular Recognition and Chiral Discrimination from NMR and Multi-Scale Simulations.

Tadeu Luiz Gomes Cabral, João Pedro Brussolo da Silva, Claudio Francisco Tormena

|Jan 20, 2025
Fullerene-Doped Poly(ionic liquids) as Small Molecular Gas Sensors-Control of Intermolecular Interactions.

Jaroslav Otta, Jakub Mikuláštík, Richard Šípka

|Jan 09, 2025
Activation and Reactivity of the Deubiquitinylase OTU Cezanne-2 from MD Simulations and QM/MM Calculations.

Metehan Ilter, Andrés M Escorcia, Eric Schulze-Niemand

|Jul 31, 2024
Modelling the elusive conformational activation in kynurenine 3-monooxygenase.

Yılmaz Özkılıç, Matthias Stein

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Frequent Collaborators

3 joint publications

Ramin Ekhteiari Salmas

3 joint publications

Serdar Durdagi

3 joint publications

Nora Kulak

2 joint publications

Sandeep Kaur-Ghumaan