| 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 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2017 |
Petrenko A, Stein M. Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron Transfer. International Journal of Molecular Sciences. 18. PMID 28067774 DOI: 10.3390/Ijms18010100 |
0.3 |
|
| 2014 |
Edler E, Stein M. Spin‐State‐Dependent Properties of an Iron(III) Hydrogenase Mimic European Journal of Inorganic Chemistry. 2014: 3587-3599. DOI: 10.1002/Ejic.201402295 |
0.297 |
|
| 2011 |
Erdem OF, Schwartz L, Stein M, Silakov A, Kaur-Ghumaan S, Huang P, Ott S, Reijerse EJ, Lubitz W. A model of the [FeFe] hydrogenase active site with a biologically relevant azadithiolate bridge: a spectroscopic and theoretical investigation. Angewandte Chemie (International Ed. in English). 50: 1439-43. PMID 21290530 DOI: 10.1002/Anie.201006244 |
0.296 |
|
| 2019 |
Peters T, Creutznacher R, Schulze E, Wallmann G, Stein M, Mallagaray A. Chemical Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein - Recognition Comes in Different Flavors. Chembiochem : a European Journal of Chemical Biology. PMID 31644826 DOI: 10.1002/Cbic.201900572 |
0.295 |
|
| 1999 |
Gessner C, Stein M, Albracht SP, Lubitz W. Orientation-selected ENDOR of the active center in Chromatium vinosum [NiFe] hydrogenase in the oxidized "ready" state. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 4: 379-89. PMID 10555572 DOI: 10.1007/S007750050324 |
0.294 |
|
| 2018 |
Buchholz HK, Stein M. Accurate lattice energies of organic molecular crystals from periodic turbomole calculations. Journal of Computational Chemistry. PMID 29504133 DOI: 10.1002/Jcc.25205 |
0.293 |
|
| 2005 |
Ragusa A, Rossi S, Hayes JM, Stein M, Kilburn JD. Novel enantioselective receptors for N-protected glutamate and aspartate. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 5674-88. PMID 16035004 DOI: 10.1002/Chem.200500444 |
0.292 |
|
| 2018 |
Boz E, Tüzün NŞ, Stein M. Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst Rsc Advances. 8: 36662-36674. DOI: 10.1039/C8Ra08135B |
0.29 |
|
| 1995 |
Brown WB, Hillier IH, Masters AJ, Palmer IJ, Dos Santos DHV, Stein M, Vincent MA. Modelling the photonucleation of water vapour by UV in the presence of oxygen and the absence of pollutants Faraday Discussions. 100: 253-267. DOI: 10.1039/Fd9950000253 |
0.29 |
|
| 2001 |
Stein M, van Lenthe E, Baerends EJ, Lubitz W. Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism. Journal of the American Chemical Society. 123: 5839-40. PMID 11403633 DOI: 10.1021/Ja005808Y |
0.289 |
|
| 2011 |
Stein M. Comment on "A nickel(II)-based radical-ligand complex as a functional model of hydrogenase". Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 15046-8; author repl. PMID 22170220 DOI: 10.1002/Chem.201002985 |
0.287 |
|
| 2016 |
Yazdi S, Naumann M, Stein M. Double Phosphorylation-Induced Structural Changes in the Signal-Receiving Domain of IκBα in Complex with NF-κB. Proteins. PMID 27701768 DOI: 10.1002/Prot.25181 |
0.286 |
|
| 2015 |
Petrenko A, Stein M. Rates and Routes of Electron Transfer of [NiFe]-Hydrogenase in an Enzymatic Fuel Cell. The Journal of Physical Chemistry. B. PMID 26218232 DOI: 10.1021/Acs.Jpcb.5B04208 |
0.284 |
|
| 2002 |
Stein M, Lubitz W. Quantum chemical calculations of [NiFe] hydrogenase. Current Opinion in Chemical Biology. 6: 243-9. PMID 12039011 DOI: 10.1016/S1367-5931(02)00313-7 |
0.284 |
|
| 2015 |
Durdagi S, Salmas RE, Stein M, Yurtsever M, Seeman P. Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of human Dopamine D2 Receptor (D2R) using Computational and Experimental Techniques. Acs Chemical Neuroscience. PMID 26645629 DOI: 10.1021/Acschemneuro.5B00271 |
0.282 |
|
| 2015 |
Hylton RK, Tizzard GJ, Threlfall TL, Ellis AL, Coles SJ, Seaton CC, Schulze E, Lorenz H, Seidel-Morgenstern A, Stein M, Price SL. Are the crystal structures of enantiopure and racemic mandelic acids determined by kinetics or thermodynamics? Journal of the American Chemical Society. PMID 26244445 DOI: 10.1021/Jacs.5B05938 |
0.28 |
|
| 2017 |
Edler E, Schulze E, Stein M. Membrane Localization and Dynamics of Geranylgeranylated Rab5 Hypervariable Region. Biochimica Et Biophysica Acta. PMID 28455099 DOI: 10.1016/J.Bbamem.2017.04.021 |
0.279 |
|
| 2018 |
Schulze E, Stein M. Simulation of Mixed Self-Assembled Monolayers on Gold: Effect of Terminal Alkyl Anchor Chain and Monolayer Composition. The Journal of Physical Chemistry. B. PMID 30028611 DOI: 10.1021/Acs.Jpcb.8B05075 |
0.276 |
|
| 2018 |
Melnikov SM, Stein M. A Molecular Dynamics Study of the Solution Structure, Clustering and Diffusion of Four Aqueous Alkanolamines. The Journal of Physical Chemistry. B. PMID 29446633 DOI: 10.1021/Acs.Jpcb.7B10322 |
0.274 |
|
| 2011 |
Goris T, Wait AF, Saggu M, Fritsch J, Heidary N, Stein M, Zebger I, Lendzian F, Armstrong FA, Friedrich B, Lenz O. A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase. Nature Chemical Biology. 7: 310-8. PMID 21390036 DOI: 10.1038/Nchembio.555 |
0.273 |
|
| 2012 |
Pandelia ME, Infossi P, Stein M, Giudici-Orticoni MT, Lubitz W. Spectroscopic characterization of the key catalytic intermediate Ni-C in the O2-tolerant [NiFe] hydrogenase I from Aquifex aeolicus: evidence of a weakly bound hydride. Chemical Communications (Cambridge, England). 48: 823-5. PMID 22143669 DOI: 10.1039/C1Cc16109A |
0.273 |
|
| 2017 |
Buchholz HK, Hylton RK, Brandenburg JG, Seidel-Morgenstern A, Lorenz H, Stein M, Price SL. Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation Crystal Growth & Design. 17: 4676-4686. DOI: 10.1021/Acs.Cgd.7B00582 |
0.273 |
|
| 2016 |
Yazdi S, Stein M, Elinder F, Andersson M, Lindahl E. The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium Channel. Plos Computational Biology. 12: e1004704. PMID 26751683 DOI: 10.1371/Journal.Pcbi.1004704 |
0.27 |
|
| 2019 |
Melnikov SM, Stein M. The effect of CO loading on alkanolamine absorbents in aqueous solutions. Physical Chemistry Chemical Physics : Pccp. 21: 18386-18392. PMID 31403642 DOI: 10.1039/C9Cp03976G |
0.269 |
|
| 2017 |
Lemberg M, Sadowski G, Gerlach M, Kohls E, Stein M, Hamel C, Seidel‐Morgenstern A. Predicting Solvent Effects on the 1-dodecene Hydroformylation Reaction Equilibrium Aiche Journal. 63: 4576-4585. DOI: 10.1002/Aic.15782 |
0.265 |
|
| 2019 |
Dreimann JM, Kohls E, Warmeling HFW, Stein M, Guo LF, Garland M, Dinh TN, Vorholt AJ. In Situ Infrared Spectroscopy as a Tool for Monitoring Molecular Catalyst for Hydroformylation in Continuous Processes Acs Catalysis. 9: 4308-4319. DOI: 10.1021/Acscatal.8B05066 |
0.261 |
|
| 2016 |
Rao Khandavilli UB, Lusi M, Bhogala BR, Maguire AR, Stein M, Lawrence SE. Diversity in a simple co-crystal: racemic and kryptoracemic behaviour. Chemical Communications (Cambridge, England). PMID 27297725 DOI: 10.1039/C6Cc04148E |
0.26 |
|
| 2019 |
Melnikov SM, Stein M. Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions Acs Sustainable Chemistry & Engineering. 7: 1028-1037. DOI: 10.1021/Acssuschemeng.8B04666 |
0.26 |
|
| 2005 |
Peri F, Airoldi C, Colombo S, Martegani E, van Neuren AS, Stein M, Marinzi C, Nicotra F. Design, synthesis and biological evaluation of sugar-derived Ras inhibitors. Chembiochem : a European Journal of Chemical Biology. 6: 1839-48. PMID 16196015 DOI: 10.1002/Cbic.200400420 |
0.256 |
|
| 2023 |
Ilter M, Schulze-Niemand E, Naumann M, Stein M. Structural Dynamics of Lys11-Selective Deubiquitinylase Cezanne-1 during the Catalytic Cycle. Journal of Chemical Information and Modeling. PMID 36943332 DOI: 10.1021/acs.jcim.2c01281 |
0.25 |
|
| 2019 |
Münzberg E, Stein M. Structure and Dynamics of Mono- vs. Doubly Lipidated Rab5 in Membranes. International Journal of Molecular Sciences. 20. PMID 31561436 DOI: 10.3390/Ijms20194773 |
0.249 |
|
| 2019 |
Petrenko A, Stein M. Toward a Molecular Reorganization Energy-Based Analysis of Third-Order Nonlinear Optical Properties of Polymethine Dyes and J-Aggregates. The Journal of Physical Chemistry. A. PMID 31589445 DOI: 10.1021/Acs.Jpca.9B05039 |
0.248 |
|
| 2021 |
Sivakumar D, Stein M. Binding of SARS-CoV Covalent Non-Covalent Inhibitors to the SARS-CoV-2 Papain-Like Protease and Ovarian Tumor Domain Deubiquitinases. Biomolecules. 11. PMID 34071582 DOI: 10.3390/biom11060802 |
0.241 |
|
| 2021 |
Schulze-Niemand E, Naumann M, Stein M. Substrate-Assisted Activation and Selectivity of the Bacterial RavD Effector Deubiquitinylase. Proteins. PMID 34825414 DOI: 10.1002/prot.26286 |
0.24 |
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| 2021 |
Pandey IK, Agarwal T, Mobin SM, Stein M, Kaur-Ghumaan S. Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand. Acs Omega. 6: 4192-4203. PMID 33644543 DOI: 10.1021/acsomega.0c04901 |
0.239 |
|
| 2009 |
Müller C, Gomez-Zurita Frau MA, Ballinari D, Colombo S, Bitto A, Martegani E, Airoldi C, van Neuren AS, Stein M, Weiser J, Battistini C, Peri F. Design, synthesis, and biological evaluation of levoglucosenone-derived ras activation inhibitors. Chemmedchem. 4: 524-8. PMID 19226500 DOI: 10.1002/Cmdc.200800416 |
0.237 |
|
| 2015 |
Petrenko A, Stein M. Molecular Reorganization Energy as a Key Determinant of J-Band Formation in J-Aggregates of Polymethine Dyes. The Journal of Physical Chemistry. A. PMID 26091059 DOI: 10.1021/Acs.Jpca.5B01269 |
0.235 |
|
| 2014 |
Yazdi S, Andersson M, Elinder F, Stein M, Lindahl E. Molecular Characterization of the Binding of Polyunsaturated Fatty Acids to a Voltage-Gated Potassium Channel Biophysical Journal. 106: 739a. DOI: 10.1016/J.Bpj.2013.11.4071 |
0.231 |
|
| 2020 |
Kuehne IA, Barker A, Zhang F, Stamenov P, O'Doherty O, Müller-Bunz H, Stein M, Rodriguez BJ, Morgan GG. Modulation of Jahn-Teller Distortion and Electromechanical Response in a Mn3+ Spin Crossover Complex. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 32208375 DOI: 10.1088/1361-648X/Ab82D1 |
0.228 |
|
| 2011 |
Erdem ÖF, Schwartz L, Stein M, Silakov A, Kaur-Ghumaan S, Huang P, Ott S, Reijerse EJ, Lubitz W. Ein Modell des aktiven Zentrums der [FeFe]-Hydrogenasen mit biologisch relevanter Azadithiolat-Brücke: eine spektroskopische und theoretische Untersuchung Angewandte Chemie. 123: 1475-1479. DOI: 10.1002/Ange.201006244 |
0.222 |
|
| 2010 |
Kaur-Ghumaan S, Schwartz L, Lomoth R, Stein M, Ott S. Katalytische Wasserstofferzeugung an einem einkernigen Eisen(II)-Carbonylkomplex als kleinstes funktionelles Modell für das aktive Zentrum von [FeFe]-Hydrogenasen Angewandte Chemie. 122: 8207-8211. DOI: 10.1002/Ange.201002719 |
0.221 |
|
| 2022 |
Natarajan M, Kumar N, Joshi M, Stein M, Kaur-Ghumaan S. Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand. Chemistryopen. 11: e202100238. PMID 34981908 DOI: 10.1002/open.202100238 |
0.216 |
|
| 2021 |
Boz E, Stein M. Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences. 22. PMID 33802920 DOI: 10.3390/ijms22063078 |
0.211 |
|
| 2017 |
Buchholz HK, Hylton RK, Brandenburg JG, Seidel-Morgenstern A, Lorenz H, Stein M, Price SL. Correction to Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation Crystal Growth & Design. 17: 6149-6149. DOI: 10.1021/Acs.Cgd.7B01381 |
0.209 |
|
| 2022 |
Kaim V, Joshi M, Stein M, Kaur-Ghumaan S. Mononuclear manganese complexes as hydrogen evolving catalysts. Frontiers in Chemistry. 10: 993085. PMID 36277350 DOI: 10.3389/fchem.2022.993085 |
0.209 |
|
| 1994 |
Koert U, Stein M, Harms K. A Convergent Synthesis of 2,5‐trans‐Linked Oligo (tetrahydrofuran)s: Potential Building Blocks for a Polyether Helix with Ion Channel Activity Angewandte Chemie. 33: 1180-1182. DOI: 10.1002/Anie.199411801 |
0.207 |
|
| 2011 |
Kaemmerer H, Zinke R, Lorenz H, Jones MJ, Seidel-Morgenstern A, Stein M. 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: 110-112. DOI: 10.1016/J.Fluid.2011.04.018 |
0.203 |
|
| 1994 |
Koert U, Stein M, Harms K. Eine konvergente Synthese von 2,5‐trans‐verknüpften Oligo(tetrahydrofuranen), potentiellen Bausteinen einer Ionenkanal‐aktiven Polyetherhelix Angewandte Chemie. 106: 1238-1240. DOI: 10.1002/Ange.19941061118 |
0.203 |
|
| 2022 |
Díaz Mirón JEZ, Stein M. A benchmark for non-covalent interactions in organometallic crystals. Physical Chemistry Chemical Physics : Pccp. 24: 29338-29349. PMID 36448535 DOI: 10.1039/d2cp04160j |
0.19 |
|
| 2016 |
Gerlach M, Kohls E, Lemberg M, Hamel C, Sadowski G, Seidel‐Morgenstern A, Stein M. Vorhersage des Lösungsmitteleinflusses auf das Reaktionsgleichgewicht der Hydroformylierung von 1‐Dodecen Chemie Ingenieur Technik. 88: 1382-1383. DOI: 10.1002/Cite.201650063 |
0.186 |
|
| 2019 |
Jameel F, Kohls E, Stein M. Mechanism and Control of the Palladium‐Catalyzed Alkoxycarbonylation of Oleochemicals from Sustainable Sources Chemcatchem. 11: 4894-4906. DOI: 10.1002/Cctc.201901097 |
0.181 |
|
| 2023 |
Kumar R, Stein M. The Fully Oxidized State of the Glutamate Coordinated O-Tolerant [NiFe]-Hydrogenase Shows a Ni(III)/Fe(III) Open-Shell Singlet Ground State. Journal of the American Chemical Society. PMID 37159341 DOI: 10.1021/jacs.3c02438 |
0.172 |
|
| 2023 |
Creutznacher R, Schulze-Niemand E, König P, Stanojlovic V, Mallagaray A, Peters T, Stein M, Schubert M. Conformational Control of Fast Asparagine Deamidation in a Norovirus Capsid Protein. Biochemistry. PMID 36808948 DOI: 10.1021/acs.biochem.2c00656 |
0.168 |
|
| 2023 |
Raabe JC, Jameel F, Stein M, Albert J, Poller MJ. Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation. Dalton Transactions (Cambridge, England : 2003). PMID 38073473 DOI: 10.1039/d3dt03883a |
0.162 |
|
| 2018 |
Boz E, Tüzün NŞ, Stein M. Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst. Rsc Advances. 8: 36662-36674. PMID 35558904 DOI: 10.1039/c8ra08135b |
0.159 |
|
| 2018 |
Nachbar M, Maul J, Stein M, Wätzig H. Analysis of AtHIRD11 Intrinsic Disorder and Binding Towards Metal Ions by Capillary Gel Electrophoresis and Affinity Capillary Electrophoresis. Journal of Visualized Experiments : Jove. PMID 30199021 DOI: 10.3791/57749 |
0.158 |
|
| 2020 |
Kweyu C, Feng L, Stein M, Benner P. Fast solution of the linearized Poisson–Boltzmann equation with nonaffine parametrized boundary conditions using the reduced basis method Computing and Visualization in Science. 23. DOI: 10.1007/s00791-020-00336-z |
0.147 |
|
| 2022 |
Mlčochová H, Ratih R, Michalcová L, Wätzig H, Glatz Z, Stein M. Comparison of Mobility Shift Affinity Capillary Electrophoresis and Capillary Electrophoresis Frontal Analysis for Binding Constant Determination between Human Serum Albumin and small drugs. Electrophoresis. PMID 35704222 DOI: 10.1002/elps.202100320 |
0.134 |
|
| 2021 |
Heinrich J, Bossak-Ahmad K, Riisom M, Haeri HH, Steel TR, Hergl V, Langhans A, Schattschneider C, Barrera J, Jamieson SMF, Stein M, Hinderberger D, Hartinger CG, Bal W, Kulak N. Incorporation of β-Alanine in Cu(II) ATCUN Peptide Complexes Increases ROS Levels, DNA Cleavage and Antiproliferative Activity. Chemistry (Weinheim An Der Bergstrasse, Germany). 27: 18093-18102. PMID 34658072 DOI: 10.1002/chem.202102601 |
0.129 |
|
| 2019 |
Stein M, Haselberg R, Mozafari-Torshizi M, Wätzig H. Experimental design and measurement uncertainty in ligand binding studies by affinity capillary electrophoresis. Electrophoresis. PMID 30637796 DOI: 10.1002/elps.201800450 |
0.128 |
|
| 2020 |
Ratih R, Wätzig H, Stein M, Deeb S. Investigation of the enantioselective interaction between selected drug enantiomers and human serum albumin by mobility shift-affinity capillary electrophoresis. Journal of Separation Science. PMID 32823373 DOI: 10.1002/jssc.202000372 |
0.125 |
|
| 2019 |
Kahle J, Stein M, Wätzig H. Design of experiments as a valuable tool for biopharmaceutical analysis with (imaged) capillary isoelectric focusing. Electrophoresis. PMID 31177564 DOI: 10.1002/elps.201900162 |
0.122 |
|
| 2023 |
Hoffstedt M, Stein MO, Baumann K, Wätzig H. Experimentally Observed Conformational Changes in Antibodies Due to Binding and Paratope-epitope Asymmetries. Journal of Pharmaceutical Sciences. PMID 37295605 DOI: 10.1016/j.xphs.2023.06.003 |
0.121 |
|
| 2021 |
Schlüter D, Schulze-Niemand E, Stein M, Naumann M. Ovarian tumor domain proteases in pathogen infection. Trends in Microbiology. PMID 34016513 DOI: 10.1016/j.tim.2021.04.002 |
0.12 |
|
| 2024 |
Tenberg V, Sadeghi M, Schultheis A, Joshi M, Stein M, Lorenz H. Aqueous solution and solid-state behaviour of l-homophenylalanine: experiment, modelling, and DFT calculations. Rsc Advances. 14: 10580-10589. PMID 38567323 DOI: 10.1039/d4ra01897d |
0.12 |
|
| 2024 |
Dittmar MC, Tohidnezhad M, Fragoulis A, Bücker A, Stein M, Pufe T, Kubo Y. Pharmacological effects of methysticin and L-sulforaphane through the Nrf2/ARE signaling pathway in MLO-Y4 osteocytes: in vitro study. Annals of Anatomy = Anatomischer Anzeiger : Official Organ of the Anatomische Gesellschaft. 254: 152260. PMID 38521364 DOI: 10.1016/j.aanat.2024.152260 |
0.12 |
|
| 2018 |
Olabi M, Stein M, Wätzig H. Affinity capillary electrophoresis for studying interactions in life sciences. Methods (San Diego, Calif.). PMID 29753786 DOI: 10.1016/j.ymeth.2018.05.006 |
0.119 |
|
| 2022 |
Haselberg R, Stein M. Binding Properties 2022. Electrophoresis. 43: 2289. PMID 36504022 DOI: 10.1002/elps.202270141 |
0.115 |
|
| 2023 |
Barrera J, H Haeri H, Heinrich J, Stein M, Hinderberger D, Kulak N. Impact of N-heteroaromatic N-termini in Cu(II) ATCUN metallopeptides on their biorelevant redox activity. Dalton Transactions (Cambridge, England : 2003). PMID 36633467 DOI: 10.1039/d2dt02044k |
0.093 |
|
| 2023 |
Gavutis M, Schulze-Niemand E, Lee HH, Liedberg B, Stein M, Valiokas R. Bilayer lipid membrane formation on surface assemblies with sparsely distributed tethers. Nanoscale. PMID 37128711 DOI: 10.1039/d2nr07069c |
0.092 |
|
| 2023 |
Krebs F, Zagst H, Stein M, Ratih R, Minkner R, Olabi M, Hartung S, Scheller C, Lapizco-Encinas BH, Sänger-van de Griend C, García CD, Wätzig H. Strategies for capillary electrophoresis: Method development and validation for pharmaceutical and biological applications-Updated and completely revised edition. Electrophoresis. 44: 1279-1341. PMID 37537327 DOI: 10.1002/elps.202300158 |
0.092 |
|
| 2007 |
Karbhari VM, Stein M. Fuzzy logic based approach to FRP retrofit of columns Composites Part B: Engineering. 38: 651-673. DOI: 10.1016/J.Compositesb.2006.06.017 |
0.081 |
|
| 2016 |
Stein M, Kruis FE. Optimization of a transferred arc reactor for metal nanoparticle synthesis. Journal of Nanoparticle Research : An Interdisciplinary Forum For Nanoscale Science and Technology. 18: 258. PMID 27642256 DOI: 10.1007/s11051-016-3559-y |
0.068 |
|
| 2013 |
Stein M, Beer M, Kreinovich V. Bayesian Approach for Inconsistent Information. Information Sciences. 245: 96-111. PMID 24089579 DOI: 10.1016/J.Ins.2013.02.024 |
0.068 |
|
| 2022 |
Ratih R, Wätzig H, Stein MO, El Deeb S. Quality by Design Assisted Optimization of a Chiral Capillary Electrokinetic Chromatographic Method for the Separation of Amlodipine Enantiomers Using Maltodextrin as Chiral Selector. Pharmaceuticals (Basel, Switzerland). 15. PMID 35337117 DOI: 10.3390/ph15030319 |
0.065 |
|
| 2021 |
Schulze-Niemand E, Naumann M, Stein M. The Activation and Selectivity of the RavD Deubiquitinase. Frontiers in Molecular Biosciences. 8: 770320. PMID 34869597 DOI: 10.3389/fmolb.2021.770320 |
0.059 |
|
| 2021 |
Skottvoll FS, Hansen FA, Harrison S, Boger IS, Mrsa A, Restan MS, Stein M, Lundanes E, Pedersen-Bjergaard S, Aizenshtadt A, Krauss S, Sullivan G, Bogen IL, Wilson SR. Electromembrane Extraction and Mass Spectrometry for Liver Organoid Drug Metabolism Studies. Analytical Chemistry. PMID 33534551 DOI: 10.1021/acs.analchem.0c05082 |
0.05 |
|
| 2019 |
Fu Q, Stein M, Li W, Zheng J, Kruis FE. Conductive films prepared from inks based on copper nanoparticles synthesized by transferred arc discharge. Nanotechnology. PMID 31530758 DOI: 10.1088/1361-6528/ab4524 |
0.049 |
|
| 2013 |
Rebner G, Beer M, Auer E, Stein M. Verified stochastic methods Soft Computing. 17: 1415-1423. DOI: 10.1007/s00500-013-1009-7 |
0.024 |
|
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