Max Planck Institute for Dynamics of Complex Technical Systems

Publications of Matthias Stein

All genres

Journal Article (100)

2017

Journal Article

Buchholz, H. K., Hylton, R. K., Brandenburg, J. G., Seidel-Morgenstern, A., Lorenz, H., Stein, M., & Price, S. L. (2017)Thermochemistry of racemic and enantiopure molecular crystals for predicting enantiomer separationCrystal Growth & Design, 17 (9), 4676–4686doi: 10.1021/acs.cgd.7b00582.

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publisher-version

Journal Article

Edler, E., Schulze, E., & Stein, M. (2017)Membrane localization and dynamics of geranylgeranylated Rab5 hypervariable regionBiochimica et Biophysica Acta (BBA) - Biomembranes, 1859 (8), 1335–1349doi: 10.1016/j.bbamem.2017.04.021.

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supplementary-material

Journal Article

Edler, E. & Stein, M. (2017)Probing the druggability of membrane-bound Rab5 by molecular dynamics simulationsJournal of Enzyme Inhibition and Medicinal Chemistry, 32 (1), 434–443doi: 10.1080/14756366.2016.1260564.

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publisher-version

Journal Article

Kohls, E. & Stein, M. (2017)Vibrational scaling factors for RH(I) carbonyl compounds in homogeneous cataylsisContributions: MASA, Section of Natural, Mathematical & Biotechnical Sciences, 38 (1), 43–56doi: 10.20903/csnmbs.masa.2017.38.1.100.

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publisher-version

Journal Article

Kohls, E. & Stein, M. (2017)The thermochemistry of long chain olefin isomers during hydroformylationNew Journal of Chemistry, 41 (15), 7347–7355doi: 10.1039/C7NJ01396E.

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publisher-version

Journal Article

Lemberg, M., Sadowski, G., Gerlach, M., Kohls, E., Stein, M., Hamel, C., & Seidel-Morgenstern, A. (2017)Predicting Solvent Effects on the 1-dodecene Hydroformylation Reaction EquilibriumAIChE-Journal, 63 (10), 4576–4585doi: 10.1002/aic.15782.

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Journal Article

Natarajan, M., Faujdar, H., Mobin, S. M., Stein, M., & Kaur-Ghumaan, S. (2017)A mononuclear iron carbonyl complex [Fe(μ-bdt)(CO)₂(PTA)₂] with bulky phosphine ligands: a model for the [FeFe] hydrogenase enzyme active site with an inverted redox potentialDalton Transactions, 46 (30), 10050–10056doi: 10.1039/C7DT01994G.

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publisher-version

Journal Article

Petrenko, A. & Stein, M. (2017)Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron TransferInternational Journal of Molecular Sciences, 18 (1), 100doi: 10.3390/ijms18010100.

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publisher-version

Journal Article

Salmas, R. E., Seeman, P., Aksoydan, B., Erol, I., Kantarcioglu, I., Stein, M., Yurtsever, M., & Durdagi, S. (2017)Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus DockingACS Chemical Neuroscience, 8 (6), 1404–1415doi: 10.1021/acschemneuro.7b00070.

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Journal Article

Salmas, R. E., Seeman, P., Aksoydan, B., Stein, M., Yurtsever, M., & Durdagi, S. (2017)Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 ReceptorACS Chemical Neuroscience, 8 (4), 826–836doi: 10.1021/acschemneuro.6b00396.

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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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