Publications of Matthias Stein

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., Hopping, G., Muttenthaller, M., & Stein, M.The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1Presented at: 60th Symposium on Theoretical ChemistryBrunswig, Germany, September 2, 2024.

Elmaci, D. N. & Stein, M.The Role of Disulfide Bonds in Structural Stability and Dynamics of Human TFF1Presented at: 36th Molecular Modelling WorkshopErlangen, Germany, March 4, 2024.

Gomes Cabral, T. L., Tormena, C. F., & Stein, M.Chiral Interactions at the Molecular Level: Insights from NMR and Computational StudiesPresented at: 36th Molecular Modelling WorkshopErlangen, Germany, March 4, 2024.

Gomes Cabral, T. L., Tormena, C. F., & Stein, M.Chiral Recognition from NMR and Computational StudiesPresented at: Bunsen-Tagung 2024Aachen, Germany, March 25, 2024.

Gomes Cabral, T. L., Tormena, C. F., & Stein, M.An experimental and computational investigation of chiral recognition in solutionPresented at: CTTC IX - Current Trends in Theoretical ChemistryKrakow, Poland, September 1, 2024.

Ilter, M., Escorcia Cabrera, A. M., & Stein, M.Exploration of the Chemical Reaction Space of Cezanne-2 through MD and QM/MMPresented at: CCSC 2024 – Chemical Compound Space ConferenceHeidelberg, Germany, May 21, 2024.

Ilter, M., Escorcia Cabrera, A. M., & Stein, M.Unveiling the Catalytic Mechanism of Cezanne-2: Insights from MD and QM/MM SimulationsPresented at: 60th Symposium on Theoretical ChemistryBrunswig, Germany, September 2, 2024.

Ilter, M., Schulze-Niemand, E., & Stein, M.Exploring the Multi-Stage Catalytic Cycle of Cezanne-1 through MD SimulationsPresented at: 36th Molecular Modelling WorkshopErlangen, Germany, March 4, 2024.

Kumar, R. & Stein, M.Investigations on the Spin States of the Fully Oxidized Glutamate-Coordinated O2-Tolerant [NiFe]-HydrogenasePresented at: 60th Symposium on Theoretical ChemistryBrunswig, Germany, September 2, 2024.

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.

Gavutis, M., Schulze-Niemand, E., Lee, H.-H., Paracini, N., Lakey, J., Liedberg, B., Clifton, L., Stein, M., & Valiokas, R.Sparse tethering of bilayer lipid membrane for analytical biomimetic assaysPresented at: Cell Physics 2023Saarbrücken, Germany, October 10, 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.