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Matthias Stein - Publications

Affiliations: 
Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Sachsen-Anhalt, Germany 
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54 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Sivakumar D, Kumar V, Naumann M, Stein M. Activation and selectivity of OTUB-1 and OTUB-2 deubiquitinylases. The Journal of Biological Chemistry. PMID 32265297 DOI: 10.1074/Jbc.Ra120.013073  0.328
2019 Pullen S, Maji S, Stein M, Ott S. Restricted rotation of an Fe(CO)(PL)-subunit in [FeFe]-hydrogenase active site mimics by intramolecular ligation. Dalton Transactions (Cambridge, England : 2003). PMID 30839992 DOI: 10.1039/C8Dt05148H  0.343
2018 Kanan T, Kanan D, Erol I, Yazdi S, Stein M, Durdagi S. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models. Journal of Molecular Graphics & Modelling. 86: 264-277. PMID 30415122 DOI: 10.1016/J.Jmgm.2018.09.014  0.301
2018 Kumar V, Naumann M, Stein M. Computational Studies on the Inhibitor Selectivity of Human JAMM Deubiquitinylases Rpn11 and CSN5. Frontiers in Chemistry. 6: 480. PMID 30356695 DOI: 10.3389/Fchem.2018.00480  0.339
2018 Escorcia AM, Stein M. QM/MM Investigation of the Role of a Second Coordination Shell Arginine in [NiFe]-Hydrogenases. Frontiers in Chemistry. 6: 164. PMID 29868565 DOI: 10.3389/Fchem.2018.00164  0.327
2018 Pandey IK, Natarajan M, Faujdar H, Hussain F, Stein M, Kaur-Ghumaan S. Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory. Dalton Transactions (Cambridge, England : 2003). PMID 29553150 DOI: 10.1039/C7Dt04837H  0.371
2018 Salmas RE, Seeman P, Stein M, Durdagi S. Structural Investigation of the Dopamine-2 Receptor (D2R) Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR States. Journal of Chemical Information and Modeling. PMID 29537837 DOI: 10.1021/Acs.Jcim.7B00722  0.334
2017 Edler E, Stein M. Recognition and stabilization of geranylgeranylated human Rab5 by the GDP Dissociation Inhibitor (GDI). Small Gtpases. 1-16. PMID 29065764 DOI: 10.1080/21541248.2017.1371268  0.335
2017 Ekhteiari Salmas R, Serhat Is Y, Durdagi S, Stein M, Yurtsever M. A QM Protein-Ligand Investigation of Anti-psychotic Drugs with the Dopamine D2 Receptor (D2R). Journal of Biomolecular Structure & Dynamics. 1-20. PMID 28805144 DOI: 10.1080/07391102.2017.1365772  0.349
2017 Natarajan M, Faujdar H, Mobin SM, Stein M, Kaur-Ghumaan S. 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 potential. Dalton Transactions (Cambridge, England : 2003). PMID 28731078 DOI: 10.1039/C7Dt01994G  0.355
2017 Salmas RE, Seeman P, Aksoydan B, Erol I, Kantarcioglu I, Stein M, Yurtsever M, Durdagi S. Analysis of the Glutamate Agonist LY404,039 Binding to Non-Static Dopamine Receptor D2 Dimer Structures and Consensus Docking. Acs Chemical Neuroscience. PMID 28272861 DOI: 10.1021/Acschemneuro.7B00070  0.33
2017 Edler E, Stein M. Probing the druggability of membrane-bound Rab5 by molecular dynamics simulations. Journal of Enzyme Inhibition and Medicinal Chemistry. 32: 434-443. PMID 28090783 DOI: 10.1080/14756366.2016.1260564  0.313
2017 Kohls E, Stein M. The thermochemistry of long chain olefin isomers during hydroformylation New Journal of Chemistry. 41: 7347-7355. DOI: 10.1039/C7Nj01396E  0.314
2016 Ekhteiari Salmas R, Seeman P, Aksoydan B, Stein M, Yurtsever M, Durdagi S. Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor. Acs Chemical Neuroscience. PMID 28001043 DOI: 10.1021/Acschemneuro.6B00396  0.357
2016 Ekhteiari Salmas R, Stein M, Yurtsever M, Seeman P, Erol I, Mestanoglu M, Durdagi S. The Signaling Pathway of Dopamine D2 Receptor (D2R) Activation Using Normal Mode Analysis (NMA) and the Construction of Universal Pharmacophore Models for D2R Inhibitors. Journal of Biomolecular Structure & Dynamics. 1-27. PMID 27367058 DOI: 10.1080/07391102.2016.1206487  0.303
2016 Jörke A, Kohls E, Triemer S, Seidel-Morgenstern A, Hamel C, Stein M. Resolution of structural isomers of complex reaction mixtures in homogeneous catalysis Chemical Engineering and Processing: Process Intensification. 102: 229-237. DOI: 10.1016/J.Cep.2016.01.001  0.304
2015 Yazdi S, Durdagi S, Naumann M, Stein M. Structural modeling of the N-terminal signal-receiving domain of IκBα. Frontiers in Molecular Biosciences. 2: 32. PMID 26157801 DOI: 10.3389/Fmolb.2015.00032  0.309
2015 Salmas RE, Yurtsever M, Stein M, Durdagi S. Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions. Molecular Diversity. 19: 321-32. PMID 25652238 DOI: 10.1007/S11030-015-9569-3  0.34
2015 Chauhan G, Stein M, Seidel-Morgenstern A, Pant KK, Nigam KDP. The thermodynamics and biodegradability of chelating agents upon metal extraction Chemical Engineering Science. 137: 768-785. DOI: 10.1016/J.Ces.2015.07.028  0.316
2014 Mirmohades M, Pullen S, Stein M, Maji S, Ott S, Hammarström L, Lomoth R. Direct observation of key catalytic intermediates in a photoinduced proton reduction cycle with a diiron carbonyl complex. Journal of the American Chemical Society. 136: 17366-9. PMID 25419868 DOI: 10.1021/Ja5085817  0.314
2014 Kaur-Ghumaan S, Stein M. [NiFe] hydrogenases: how close do structural and functional mimics approach the active site? Dalton Transactions (Cambridge, England : 2003). 43: 9392-405. PMID 24846119 DOI: 10.1039/C4Dt00539B  0.335
2014 Chambers GM, Mitra J, Rauchfuss TB, Stein M. Ni(I)/Ru(II) model for the Ni-L state of the [NiFe]hydrogenases: synthesis, spectroscopy, and reactivity. Inorganic Chemistry. 53: 4243-9. PMID 24684697 DOI: 10.1021/Ic500389P  0.302
2014 Orthaber A, Karnahl M, Tschierlei S, Streich D, Stein M, Ott S. Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site. Dalton Transactions (Cambridge, England : 2003). 43: 4537-49. PMID 24457903 DOI: 10.1039/C3Dt53268B  0.314
2013 Stein M, Kaur-Ghumaan S. Microbial hydrogen splitting in the presence of oxygen. Biochemical Society Transactions. 41: 1317-24. PMID 24059526 DOI: 10.1042/Bst20130033  0.334
2013 Erdem Ö, Stein M, Kaur-Ghumaan S, Reijerse EJ, Ott S, Lubitz W. Effect of cyanide ligands on the electronic structure of [FeFe] hydrogenase active-site model complexes with an azadithiolate cofactor. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 14566-72. PMID 24038239 DOI: 10.1002/Chem.201302467  0.357
2013 Wang W, Nilges MJ, Rauchfuss TB, Stein M. Isolation of a mixed valence diiron hydride: evidence for a spectator hydride in hydrogen evolution catalysis. Journal of the American Chemical Society. 135: 3633-9. PMID 23383865 DOI: 10.1021/Ja312458F  0.313
2012 Schilter D, Rauchfuss TB, Stein M. Connecting [NiFe]- and [FeFe]-hydrogenases: mixed-valence nickel-iron dithiolates with rotated structures. Inorganic Chemistry. 51: 8931-41. PMID 22838645 DOI: 10.1021/Ic300910R  0.33
2012 Stein M, Pilli M, Bernauer S, Habermann BH, Zerial M, Wade RC. The interaction properties of the human Rab GTPase family--comparative analysis reveals determinants of molecular binding selectivity. Plos One. 7: e34870. PMID 22523562 DOI: 10.1371/Journal.Pone.0034870  0.515
2012 Schilter D, Nilges MJ, Chakrabarti M, Lindahl PA, Rauchfuss TB, Stein M. Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active site. Inorganic Chemistry. 51: 2338-48. PMID 22304696 DOI: 10.1021/Ic202329Y  0.33
2011 Fritsch J, Löscher S, Sanganas O, Siebert E, Zebger I, Stein M, Ludwig M, De Lacey AL, Dau H, Friedrich B, Lenz O, Haumann M. [NiFe] and [FeS] cofactors in the membrane-bound hydrogenase of Ralstonia eutropha investigated by X-ray absorption spectroscopy: insights into O(2)-tolerant H(2) cleavage. Biochemistry. 50: 5858-69. PMID 21618994 DOI: 10.1021/Bi200367U  0.311
2010 Kaur-Ghumaan S, Schwartz L, Lomoth R, Stein M, Ott S. Catalytic hydrogen evolution from mononuclear iron(II) carbonyl complexes as minimal functional models of the [FeFe] hydrogenase active site. Angewandte Chemie (International Ed. in English). 49: 8033-6. PMID 20845342 DOI: 10.1002/Anie.201002719  0.308
2010 Löscher S, Gebler A, Stein M, Sanganas O, Buhrke T, Zebger I, Dau H, Friedrich B, Lenz O, Haumann M. Protein-protein complex formation affects the Ni-Fe and Fe-S centers in the H2-sensing regulatory hydrogenase from Ralstonia eutropha H16. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 1297-306. PMID 20340124 DOI: 10.1002/Cphc.200901007  0.346
2010 Stein M, Gabdoulline RR, Wade RC. Cross-species analysis of the glycolytic pathway by comparison of molecular interaction fields. Molecular Biosystems. 6: 152-64. PMID 20024078 DOI: 10.1039/B912398A  0.516
2010 Singh PS, Rudbeck HC, Huang P, Ezzaher S, Eriksson L, Stein M, Ott S, Lomoth R. (I,0) Mixed-valence state of a diiron complex with pertinence to the [FeFe]-hydrogenase active site: an IR, EPR, and computational study. Inorganic Chemistry. 48: 10883-5. PMID 19888734 DOI: 10.1021/Ic9016454  0.327
2008 Weidemann A, Richter S, Stein M, Sahle S, Gauges R, Gabdoulline R, Surovtsova I, Semmelrock N, Besson B, Rojas I, Wade R, Kummer U. SYCAMORE--a systems biology computational analysis and modeling research environment. Bioinformatics (Oxford, England). 24: 1463-4. PMID 18463116 DOI: 10.1093/Bioinformatics/Btn207  0.506
2008 Richter S, Wenzel A, Stein M, Gabdoulline RR, Wade RC. webPIPSA: a web server for the comparison of protein interaction properties. Nucleic Acids Research. 36: W276-80. PMID 18420653 DOI: 10.1093/Nar/Gkn181  0.521
2008 Stein M, Gabdoulline RR, Wade RC. Calculating enzyme kinetic parameters from protein structures. Biochemical Society Transactions. 36: 51-4. PMID 18208384 DOI: 10.1042/Bst0360051  0.529
2007 Löscher S, Schwartz L, Stein M, Ott S, Haumann M. Facilitated hydride binding in an Fe-Fe hydrogenase active-site biomimic revealed by X-ray absorption spectroscopy and DFT calculations. Inorganic Chemistry. 46: 11094-105. PMID 18041829 DOI: 10.1021/Ic701255P  0.362
2007 Gabdoulline RR, Stein M, Wade RC. qPIPSA: relating enzymatic kinetic parameters and interaction fields. Bmc Bioinformatics. 8: 373. PMID 17919319 DOI: 10.1186/1471-2105-8-373  0.527
2007 Eilers G, Schwartz L, Stein M, Zampella G, de Gioia L, Ott S, Lomoth R. Ligand versus metal protonation of an iron hydrogenase active site mimic. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 7075-84. PMID 17566128 DOI: 10.1002/Chem.200700019  0.347
2007 Stein M, Gabdoulline RR, Wade RC. Bridging from molecular simulation to biochemical networks. Current Opinion in Structural Biology. 17: 166-72. PMID 17395455 DOI: 10.1016/J.Sbi.2007.03.014  0.541
2006 van Gastel M, Stein M, Brecht M, Schröder O, Lendzian F, Bittl R, Ogata H, Higuchi Y, Lubitz W. A single-crystal ENDOR and density functional theory study of the oxidized states of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 11: 41-51. PMID 16292669 DOI: 10.1007/S00775-005-0048-7  0.335
2004 Bruschi M, De Gioia L, Zampella G, Reiher M, Fantucci P, Stein M. A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 9: 873-84. PMID 15365900 DOI: 10.1007/S00775-004-0588-2  0.346
2004 Del Rio A, Hayes JM, Stein M, Piras P, Roussel C. Theoretical reassessment of Whelk-O1 as an enantioselective receptor for 1-(4-halogeno-phenyl)-1-ethylamine derivatives. Chirality. 16: S1-11. PMID 15239067 DOI: 10.1002/Chir.20009  0.313
2004 Stein M, Lubitz W. Relativistic DFT calculation of the reaction cycle intermediates of [NiFe] hydrogenase: a contribution to understanding the enzymatic mechanism. Journal of Inorganic Biochemistry. 98: 862-77. PMID 15134933 DOI: 10.1016/J.Jinorgbio.2004.03.002  0.352
2004 Hayes JM, Stein M, Weiser J. Accurate Calculations of Ligand Binding Free Energies: Chiral Separation with Enantioselective Receptors Journal of Physical Chemistry A. 108: 3572-3580. DOI: 10.1021/Jp0373797  0.331
2003 Foerster S, Stein M, Brecht M, Ogata H, Higuchi Y, Lubitz W. Single crystal EPR studies of the reduced active site of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F. Journal of the American Chemical Society. 125: 83-93. PMID 12515509 DOI: 10.1021/Ja027522U  0.326
2001 Teutloff C, Bittl R, Stein M, Jordan P, Fromme P, Krauss N, Lubitz W. Structure based analysis of the magnetic resonanceparameters of the phylloquinone acceptor A1 in PS I Science Access. 3. DOI: 10.1071/Sa0403189  0.31
2001 Stein M, Lubitz W. The electronic structure of the catalytic intermediate Ni-C in [NiFe] and [NiFeSe] hydrogenases Physical Chemistry Chemical Physics. 3: 5115-5120. DOI: 10.1039/B105723P  0.34
2001 Stein M, Lubitz W. DFT calculations of the electronic structure of the paramagnetic states Ni-A, Ni-B and Ni-C of [NiFe] hydrogenase Physical Chemistry Chemical Physics. 3: 2668-2675. DOI: 10.1039/B101508G  0.309
2001 Stein M, Van Lenthe E, Baerends EJ, Lubitz W. G- and a-tensor calculations in the zero-order approximation for relativistic effects of Ni complexes Ni(mnt) 2 - and Ni(CO) 3H as model complexes for the active center of [NiFe]-hydrogenase Journal of Physical Chemistry A. 105: 416-425. DOI: 10.1021/Jp002455G  0.333
2001 Teutloff C, Hofbauer W, Zech SG, Stein M, Bittl R, Lubitz W. High-frequency EPR studies on cofactor radicals in photosystem I Applied Magnetic Resonance. 21: 363-379. DOI: 10.1007/Bf03162414  0.32
2000 Trofanchuk O, Stein M, Gessner C, Lendzian F, Higuchi Y, Lubitz W. Single crystal EPR studies of the oxidized active site of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 5: 36-44. PMID 10766434 DOI: 10.1007/Pl00010654  0.307
1997 Stein M, Sauer J. Formic acid tetramers: structure isomers in the gas phase Chemical Physics Letters. 267: 111-115. DOI: 10.1016/S0009-2614(97)00060-2  0.316
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