Publications of M. Stein

Pandelia, M.-E., Infossi, P., Stein, M., Guidici-Orticoni, M.-T., & Lubitz, W. (2012)Spectroscopic characterization of the key catalytic intermediate Ni-C in the O₂-tolerant [NiFe] hydrogenase I from Aquifex aeolicus: evidence of a weakly bound hydrideChemical Communications, 48 (6), 823–825doi: 10.1039/C1CC16109A.

Schilter, D., Nilges, M. J., Chakrabarti, M., Lindahl, P. A., Rauchfuss, T. B., & Stein, M. (2012)Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active siteInorganic Chemistry, 51 (4), 2338–2348doi: 10.1021/ic202329y.

Schilter, D., Rauchfuss, T. B., & Stein, M. (2012)Connecting [NiFe]- and [FeFe]-Hydrogenases: Mixed-Valence Nickel-Iron Dithiolates with Rotated StructuresInorganic Chemistry, 51 (16), 8931–8941doi: 10.1021/ic300910r.

Stein, M., Pilli, M., Bernauer, S., Habermann, B. H., Zerial, M., & Wade, R. C. (2012)The Interaction Properties of the Human Rab GTPase Family – A Comparative Analysis Reveals Determinants of Molecular Binding SelectivityPLoS ONE, 7 (4), e34870doi: 10.1371/journal.pone.0034870.

Erdem, Ö. F., Schwartz, L., Stein, M., Kaur-Ghumaan, S., Huang, P., Reijerse, E. J., Lubitz, W., & Silakov, A. (2011)Ein Modell des aktiven Zentrums der [FeFe]-Hydrogenasen mit biologisch relevanter Azadithiolat-Brücke: eine spektroskopische und theoretische UntersuchungAngewandte Chemie, 123 (6), 1475–1479doi: 10.1002/ange.201006244.

Erdem, Ö. F., Schwartz, L., Stein, M., Silakov, A., Kaur-Ghumaan, S., Huang, P., Ott, S., Reijerse, E. J., & Lubitz, W. (2011)A Model of the [FeFe] Hydrogenase Active Site with a Biologically Relevant Azadithiolate Bridge: a Spectroscopic and Theoretical InvestigationAngewandte Chemie International Edition in English, 50 (6), 1439–1443doi: 10.1002/anie.201006244.

Fritsch, J., Löscher, S., Sanganas, O., Siebert, E., Zebger, I., Stein, M., Ludwig, M., De Lacey, A. L., Dau, H., Friedrich, B., Lenz, O., & Haumann, M. (2011)[NiFe] and [FeS] Cofactors in the Membrane-Bound Hydrogenase of Ralstonia eutropha Investigated by X-ray Absorption Spectroscopy: Insights into O₂-Tolerant H₂ CleavageBiochemistry, 50 (26), 5858–5869doi: 10.1021/bi200367u.

Goris, T., Wait, A. F., Saggu, M., Fritsch, J., Heidary, N., Stein, M., Zebger, I., Lendzian, F., Armstrong, F. A., Friedrich, B., & Lenz, O. (2011)A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenaseNature Chemical Biology, 7 (5), 310–318doi: 10.1038/nchembio.555.

Kaemmerer, H., Zinke, R., Lorenz, H., Jones, M. J., Seidel-Morgenstern, A., & Stein, M. (2011)Corrigendum to “Selective crystallisation of a chiral compound-forming system—Solvent screening, SLE determination and process design” by Henning Kaemmerer et al. [Fluid Phase Equilibr. 296 (2010) 192–205]Fluid Phase Equilibria, 307 (1), 110–112doi: 10.1016/j.fluid.2011.04.018.

Stein, M. (2011)Comment on "A Nickel(II)-Based Radical-Ligand Complex as a Functional Model of Hydrogenase"Chemistry - A European Journal, 17 (52), 15046–15048doi: 10.1002/chem.201002985.

Gerlach, M., Kirschtowski, S., Jameel, F., Huxoll, F., Stein, M., Sadowski, G., Seidel-Morgenstern, A., & Hamel, C. (2022)Kinetic Modeling of Complex Catalytic Reactions in Multiphase SystemsIn: Drews, A.,Schomäcker, R.,Engell, S., & Sundmacher, K. (Eds.) Integrated Chemical Processes in Liquid Multiphase Systems101–149Berlin/Boston: Walter de Gruyter GmbHdoi: 10.1515/9783110709858.

Jameel, F., Huxoll, F., Stein, M., & Sadowski, G. (2022)Solvent Selection for Reactions in Liquid PhasesIntegrated Chemical Processes in Liquid Multiphase Systems523–535Berlin/Boston: Walter de Gruyter GmbHdoi: 10.1515/9783110709858.

Stein, M. (2019)Anisotropic Magnetic Spin Interactions of Transition Metal Complexes and Metalloenzymes from Spectroscopy and Quantum ChemistryTransition Metals in Coordination Environments35–64Switzerland: Springer Nature Switzerlanddoi: 10.1007/978-3-030-11714-6_2.

Petrenko, A. & Stein, M. (2016)Environment Effects on Spin States, Properties and Dynamics from Multi-Level QM/MM StudiesSpin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity327–368Chichester, West Sussex: Wiley-VCHdoi: 10.1002/9781118898277.ch14.

Kweyu, C. M., Hess, M. W., Feng, L., Stein, M., & Benner, P. (2016)Reduced Basis Method for Poisson-Boltzmann EquationIn: Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering: Volume II, 4187–4195.

Buchholz, H. K., Stein, M., Lorenz, H., & Seidel-Morgenstern, A. (2014)Evaluation of Two Thermodynamic Cycles for Solubility DeterminationIn: BIWIC 2014 - 21st International Workshop on Industrial Crystallization, 166–170.

Edler, E., Yazdi, S., & Stein, M. (2015)The Molecular Systems Biology Of Signaling And Metabolic NetworksIn: 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, 41–41.

Chambers , G. M., Angamuthu, R., Mitra , J., Rauchfuss, T. B., & Stein, M. (2014)Ni-Ru Dithiolates as Models for the Ni-L State in [NiFe]-HydrogenaseIn: Journal of Biological Inorganic Chemistry, 519–519.

Yazdi, S., Andersson, M., Elinder, F., Stein, M., & Lindahl, E. (2014)Molecular Characterization of the Binding of Polyunsaturated Fatty Acids to a Voltage-Gated Potassium ChannelIn: Biophysical Journal (Annual Meeting Abstracts), 739A–739A.

Jameel, F. & Stein, M.Solvent Design for Green Homogeneous multi-phase Industrial ReactionsPresented at: European Conference on Computational and Theoretical Chemistry (CompChem 2023)Thessaloniki, Greece, August 27, 2023.