Publications of Matthias Stein

Stein, M.From Enzymes to Biomimetic Systems and BackPresented at: 10th International Hydrogenase ConferenceSzeged, Hungary, July 8, 2013.

Stein, M. & Rauchfuss, T. B.The electronic structure and spin density distribution in biomimetic mixed-valence complexesPresented at: 112th Bunsentagung: Theory meets SpectroscopyKarlsruhe, Germany, May 9, 2013.

Stein, M.Remote cofactor control of active site properties in hydrogen converting enzymesPresented at: 2012 ISQBP President´s MeetingStockholm, Schweden, June 17, 2012.

Kaemmerer, H., Zinke, R., Lorenz, H., Stein, M., & Seidel-Morgenstern, A.Application of predictive COSMO models for the design of chiral crystallisation processes - Chances and challengesPresented at: 8th European Congress of Chemical Engineering together with ProcessNet-Annual Meeting / 1st European Congress of Applied Biotechnology together with 29th DECHEMA's Biotechnology Annual MeetingBerlin, Germany, September 25, 2011.

Stein, M.Mixed-Valence Structural and Functional Mimics of HydrogenasesPresented at: Modeling of Molecular PropertiesHeidelberg, Germany, October 9, 2011.

Stein, M.Structural and Functional Mimics of HydrogenasePresented at: 47th Symposium for Theoretical Chemistry STC 2011Sursee, Switzerland, August 21, 2011.

Stein, M.Computational re-design of hydrogenase enzymesPresented at: Ninth triennial congress of the World Association of Theoretical and Computational ChemistsSantiago de Compostela, Spain, July 17, 2011.

Stein, M.Structural basis for enzyme kineticsPresented at: 2nd Max Planck LeadNet MeetingBerlin, Germany, May 3, 2011.

Stein, M.Hydrogen Conversion- Going Back and Forth in Model CompoundsPresented at: The 9th International Hydrogenase ConferenceUppsala, Sweden, June 27, 2010.

Elmaci, D. N. & Stein, M.The Role of Disulfide Bonds on Structural Integrity of Human TFF1 DomainPresented at: CSC Spring School in Computational Chemistry 2023Espoo, Finland, April 26, 2023.

Ilter, M., Schulze-Niemand, E., Naumann, M., & Stein, M.Structural dynamics of K11-linked selective deubiquitylase Cezanne-1Presented at: Deubiquitylases and Ubl-proteasesEdinburgh, UK, June 19, 2023.

Ilter, M., Schulze-Niemand, E., Naumann, M., & Stein, M.Structural Dynamics of the K11-linked Selective Deubiquitinase Cezanne-1Presented at: CSC Spring School in Computational Chemistry 2023Espoo, Finland, April 26, 2023.

Boz, E. & Stein, M.Non-Covalent Interactions in Molecular Receptors and CrystalsPresented at: CRC Computational Chemistry Gordon Research Conference “Multiscale Modeling of Complex Systems: Methods and Applications"Castelldefels, Spain, July 17, 2022.

Ilter, M., Schulze-Niemand, E., Naumann, M., & Stein, M.Conformational Transitions in the Catalytic Cycle of Cezanne‐1Presented at: Hybrid Workshop "Computer Simulation and Therory of Macromolecules"Hünfeld, Germany, April 8, 2022.

Ilter, M., Schulze-Niemand, E., Naumann, M., & Stein, M.Conformational Transitions in the Catalytic Cycle of Cezanne-1Presented at: Konferenz XI. ZOMESMagdeburg, Germany, August 31, 2022.

Ilter, M., Schulze-Niemand, E., Naumann, M., & Stein, M.Conformational Transitions in the Catalytic Cycle of Cezanne-1Presented at: EMBO Workshop - Ubiquitin and ubiquitin-like proteins in health and diseasesCavtat, Croatia, September 9, 2022.

Jameel, F. & Stein, M.Solvent Selection for Sustainable Homogeneously Catalyzed ReactionsPresented at: 58th Symposium on Theoretical ChemistryHeidelberg, Germany, September 18, 2022.

Joshi, M. & Stein, M.ffect of Different Bridging Dithiolate Ligands on Hydrogen Evolution Mechanism: A Computational StudyPresented at: 58th Symposium on Theoretical ChemistryHeidelberg, Germany, September 18, 2022.

Boz, E. & Stein, M.Accurate receptor-ligand binding free energies from fast QM conformational chemical space samplingPresented at: CECAM Flagship Workshop: Non-Covalent Interactions in Large Molecules and Extended MaterialsLausanne, Switzerland (hybrid event), August 30, 2021.

Boz, E. & Stein, M.Accurate Receptor-Ligand Binding Free Energies from QM Conformational Chemical Space SamplingPresented at: 57th Symposium on Theoretical Chemistryvirtually, September 20, 2021.