Max Planck Institute for Dynamics of Complex Technical Systems

Publications of Matthias Stein

All genres

Journal Article (90)

2017

Journal Article

Salmas, R. E., Stein, M., Yurtsever, M., Seeman, P., Erol, I., Mestanoglu, M., & Durdagi, S. (2017)The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligandsJournal of Biomolecular Structure and Dynamics, 35 (9), 2040–2048doi: 10.1080/07391102.2016.1206487.

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Journal Article

Yazdi, S., Naumann, M., & Stein, M. (2017)Double Phosphorylation-Induced Structural Changes in the Signal-Receiving Domain of IκBα in Complex with NF-κBProteins: Structure, Function, and Bioinformatics, 85 (1), 17–29doi: 10.1002/prot.25181.

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2016

Journal Article

Durdagi, S., Salmas, R. E., Stein, M., Yurtsever, M., & Seeman, P. (2016)Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental TechniquesACS Chemical Neuroscience, 7 (2), 185–195doi: 10.1021/acschemneuro.5b00271.

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Journal Article

Jörke, A., Kohls, E., Triemer, S., Seidel-Morgenstern, A., Hamel, C., & Stein, M. (2016)Resolution of Structural Isomers of Complex Reaction Mixtures in Homogeneous CatalysisChemical Engineering and Processing, 102, 229–237doi: 10.1016/j.cep.2016.01.001.

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Journal Article

Khandavilli, U. B. R., Lusi, M., Bhogala, B. R., Maguire, A. R., Stein, M., & Lawrence, S. E. (2016)Diversity in a simple co-crystal: racemic and kryptoracemic behaviourChemical Communications, 2016 (52), 8309–8312doi: 10.1039/C6CC04148E.

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publisher-version

Journal Article

Yazdi, S., Stein, M., Elinder, F., Andersson, M., & Lindahl, E. (2016)The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium ChannelPLoS Computational Biology, 12 (1), e1004704doi: 10.1371/journal.pcbi.1004704.

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publisher-version

2015

Journal Article

Chauhan, G., Stein, M., Seidel-Morgenstern, A., Pant, K. K., & Nigam, K. D. P. (2015)The thermodynamics and biodegradability of chelating agents upon metal extractionChemical Engineering Science, 137, 768–785doi: 10.1016/j.ces.2015.07.028.

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Journal Article

Hylton, R., Tizzard, G. J., Threlfall, T. L., Ellis, A. L., Coles, S. J., Seaton, C. C., Schulze, E., Lorenz, H., Seidel-Morgenstern, A., Stein, M., & Price, S. L. (2015)Are the crystal structures of enantiopure and racemic mandelic acids determined by kinetics or thermodynamics?Journal of the American Chemical Society, 137 (34), 11095–11104doi: 10.1021/jacs.5b05938.

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publisher-version

Journal Article

Petrenko, A. & Stein, M. (2015)Molecular Reorganization Energy as a Key Determinant of J-Band Formation in J-Aggregates of Polymethine DyesThe Journal of Physical Chemistry A, 119 (26), 6773–6780doi: 10.1021/acs.jpca.5b01269.

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Journal Article

Petrenko, A. & Stein, M. (2015)Rates and Routes of Electron Transfer of [NiFe]-Hydrogenase in an Enzymatic Fuel CellThe Journal of Physical Chemistry B, 119 (43), 3870–13882doi: 10.1021/acs.jpcb.5b04208.

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Journal Article

Salmas, R. E., Yurtsever, M., Stein, M., & Durdagi, S. (2015)Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactionsMolecular Diversity, 19 (2), 321–332doi: 10.1007/s11030-015-9569-3.

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Journal Article

Yazdi, S., Durdagi, S., Naumann, M., & Stein, M. (2015)Structural modeling of the N-terminal signal–receiving domain of IκBαfrontiers in Molecular Biosciences, 2, 32doi: 10.3389/fmolb.2015.00032.

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publisher-version

supplementary-material

2014

Journal Article

Chambers , G. M., Mitra , J., Rauchfuss, T. B., & Stein, M. (2014)NiI/RuII Model for the Ni–L State of the [NiFe]Hydrogenases: Synthesis, Spectroscopy, and ReactivityInorganic Chemistry, 53 (8), 4243–4249doi: 10.1021/ic500389p.

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Journal Article

Edler, E. & Stein, M. (2014)Spin‐State‐Dependent Properties of an Iron(III) Hydrogenase MimicEuropean Journal of Inorganic Chemistry, 2014 (22), 3587–3599doi: 10.1002/ejic.201402295.

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publisher-version

Journal Article

Kaur-Ghumaan, S. & Stein, M. (2014)[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?Dalton Transactions, 43 (25), 9392–9405doi: 10.1039/C4DT00539B.

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publisher-version

Journal Article

Mirmohades, M., Pullen, S., Stein, M., Maji, S., Ott, S., Hammarström, L., & Lomoth, R. (2014)Direct Observation of Key Catalytic Intermediates in a Photoinduced Proton Reduction Cycle with a Diiron Carbonyl ComplexJournal of the American Chemical Society, 136 (50), 17366–17369doi: 10.1021/ja5085817.

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Journal Article

Orthaber, A., Karnahl, M., Tschierlei, S., Streich, D., Stein, M., & Ott, S. (2014)Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active siteDalton Transactions, 43, 4537–4549doi: 10.1039/C3DT53268B.

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publisher-version

2013

Journal Article

Erdem, Ö. F., Stein, M., Kaur-Ghumaan, S., Reijerse, E. J., Ott, S., & Lubitz, W. (2013)Effect of Cyanide Ligands on the Electronic Structure of [FeFe] Hydrogenase Active-Site Model Complexes with an Azadithiolate CofactorChemistry – A European Journal, 19 (43), 14566–14572doi: 10.1002/chem.201302467.

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Journal Article

Stein, M. & Kaur-Ghumaan, S. (2013)Microbial hydrogen splitting in the presence of oxygenBiochemical Society Transactions, 41 (5), 1317–1324doi: 10.1042/BST20130033.

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Journal Article

Wang, W., Nilges, M. J., Rauchfuss, T. B., & Stein, M. (2013)Isolation of a Mixed Valence Diiron Hydride: Evidence for a Spectator Hydride in Hydrogen Evolution CatalysisJournal of the American Chemical Society, 135 (9), 3633–3639doi: 10.1021/ja312458f.

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