Publications of Matthias Stein
All genres
Journal Article (87)
2012
Journal Article
7 (4), p. e34870 (2012)
The Interaction Properties of the Human Rab GTPase Family – A Comparative Analysis Reveals Determinants of Molecular Binding Selectivity. PLoS ONE 2011
Journal Article
123 (6), pp. 1475 - 1479 (2011)
Ein Modell des aktiven Zentrums der [FeFe]-Hydrogenasen mit biologisch relevanter Azadithiolat-Brücke: eine spektroskopische und theoretische Untersuchung. Angewandte Chemie
Journal Article
50 (6), pp. 1439 - 1443 (2011)
A Model of the [FeFe] Hydrogenase Active Site with a Biologically Relevant Azadithiolate Bridge: a Spectroscopic and Theoretical Investigation. Angewandte Chemie International Edition in English
Journal Article
50 (26), pp. 5858 - 5869 (2011)
[NiFe] and [FeS] Cofactors in the Membrane-Bound Hydrogenase of Ralstonia eutropha Investigated by X-ray Absorption Spectroscopy: Insights into O2-Tolerant H2 Cleavage. Biochemistry
Journal Article
7 (5), pp. 310 - 318 (2011)
A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase. Nature Chemical Biology
Journal Article
307 (1), pp. 110 - 112 (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
Journal Article
17 (52), pp. 15046 - 15048 (2011)
Comment on "A Nickel(II)-Based Radical-Ligand Complex as a Functional Model of Hydrogenase". Chemistry - A European Journal Book Chapter (2)
2019
Book Chapter
Anisotropic Magnetic Spin Interactions of Transition Metal Complexes and Metalloenzymes from Spectroscopy and Quantum Chemistry. In: Transition Metals in Coordination Environments, pp. 35 - 64 (Eds. Broclawik, E.; Borowski , T.; Radoń , M.). Springer Nature Switzerland, Switzerland (2019)
2016
Book Chapter
Environment Effects on Spin States, Properties and Dynamics from Multi-Level QM/MM Studies. In: Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, pp. 327 - 368 (Eds. Swart, M.; Costas, M.). Wiley-VCH, Chichester, West Sussex (2016)
Conference Paper (2)
2016
Conference Paper
Reduced Basis Method for Poisson-Boltzmann Equation. In: Proceedings of the VII European Congress on Computational Methods in Applied Sciences and Engineering: Volume II, pp. 4187 - 4195 (Eds. Papadrakakis, M.; Papadopoulos, V.; Stefanou, G.; Plevris, V.). VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, June 05, 2016 - June 10, 2016. National Technical University of Athens (NTUA), Athens, Greece (2016)
2014
Conference Paper
Evaluation of Two Thermodynamic Cycles for Solubility Determination. In: BIWIC 2014 - 21st International Workshop on Industrial Crystallization, pp. 166 - 170. BIWIC 2014 - 21st International Workshop on Industrial Crystallization, Rouen, France, September 10, 2014 - September 12, 2014. (2014)
Meeting Abstract (3)
2015
Meeting Abstract
The Molecular Systems Biology Of Signaling And Metabolic Networks. In 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, p. 41 - 41. 3rd INTERNATIONAL BAU-DRUG DESIGN CONGRESS: Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development, Istanbul, Turkey, October 01, 2015 - October 03, 2015. (2015)
2014
Meeting Abstract
19 (1 Supplement), p. 519 - 519. XVIth International Conference on Biological Inorganic Chemistry, Grenoble, France, July 22, 2013 - July 26, 2013. Springer, Berlin (2014)
Ni-Ru Dithiolates as Models for the Ni-L State in [NiFe]-Hydrogenase. In Journal of Biological Inorganic Chemistry,
Meeting Abstract
106 (2), p. 739A - 739A. 58th Annual Meeting of the Biophysical Society, San Francisco, USA, February 15, 2014 - February 19, 2014. Biophysical Society, Bethesda, MD (2014)
Molecular Characterization of the Binding of Polyunsaturated Fatty Acids to a Voltage-Gated Potassium Channel. In Biophysical Journal (Annual Meeting Abstracts), Talk (46)
2022
Talk
Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
Talk
The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Talk
Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Talk
Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, Germany (2022)
Talk
Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
2021
Talk
QM calculated free energies of binding of macromolecular ligand-receptor complexes. ACS Spring Meeting 2021, virtual (2021)