Publications of Heiko M. Möller

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Peer-reviewed articles

  1. Viet Hildebrand, Matthias Heydenreich, André Laschewsky, Heiko M. Möller, Peter Müller-Buschbaum, Christine M. Papadakic, Dirk Schanzenbaca, Erik Wischerhoff „Schizophrenic“ self-assembly of dual thermoresponsive block copolymers bearing a zwitterionic and a non-ionic hydrophilic block Polymer doi:10.1016/j.polymer.2017.06.063

  2. Prashant Pavashe, Elangovan Elamparuthi, Cornelia Hettrich, Heiko M. Möller, and Torsten Linker Synthesis of 2-Thiocarbohydrates and Their Binding to Concanavalin A J. Org. Chem. 2016, 81 (18), pp 8595–8603 doi:10.1021/acs.joc.6b00987

  3. Trautwein M, Fredriksson K, Möller HM, Exner TE Automated assignment of NMR chemical shifts based on a known structure and 4D spectra. J Biomol NMR. 2016 Aug;65(3-4):217-36. doi: 10.1007/s10858-016-0050-0

  4. Johannes Holert, Onur Yücel, Nina Jagmann, Andreas Prestel, Heiko M. Möller, Bodo Philipp Identification of bypass reactions leading to the formation of one central steroid degradation intermediate in metabolism of different bile salts in Pseudomonas sp. strain Chol1s Environmental Microbiology doi:10.1111/1462-2920.13192

  5. Maier, S. K., Poluektov, G., Jester, S.-S., Möller, H. M.*, and Höger, S. (2016) Fast Oxidative Cyclooligomerization towards Low- and High-Symmetry Thiophene Macrocycles Chem Eur J 22: 1379–1384 doi:10.1002/chem.201503211

  6. Thomas Vorburger; Ruslan Nedielkov; Alexander Brosig; Eva Bok; Emina Schunke; Wojtek Steffen; Sonja Mayer; Friedrich Götz; Heiko M Möller; Julia Steuber; Role of the Na+-translocating NADH:quinone oxidoreductase in voltage generation and Na+ extrusion in Vibrio choleraeBiochim BiophysActa - Bioenergetics, Volume 1857, Issue 4, April 2016, Pages 473–482; doi: 10.1016/j.bbabio.2015.12.010

  7. Andreas Prestel, Heiko Möller*; Spatio-temporal Control of Cellular Uptake Achieved by Photoswitchable Cell-Penetrating Peptides;Chemical Communications, 2016, 52, 701 - 704 doi:10.1039/C5CC06848G

  8. Stefan Schildknecht, Regina Pape, Johannes Meiser, Christiaan Karreman, Tobias Strittmatter, Meike Odermatt, Erica Cirri, Anke Friemel, Markus Ringwald, Noemi Pasquarelli, Boris Ferger, Thomas Brunner, Andreas Marx, Heiko Möller, Karsten Hiller, Marcel Leist; Preferential extracellular generation of the active parkinsonian toxin MPP+ by transporter-independent export of the intermediate MPDP+ Antiox Redox Signal 23: 1001-1016 doi:10.1089/ars.2015.6297

  9. Roman Sommer, Dirk Hauck, Annabelle Varrot, Stefanie Wagner, Aymeric Audfray, Andreas Prestel, Heiko M. Möller, Anne Imberty, Alexander Titz, "Cinnamide derivatives of D-mannose as inhibitors of a bacterial virulence factor: structure- activity relationship and extensive biophysical characterization suggest a surface binding mode with Pseudomonas aeruginosa lectin LecB" ChemistryOpen4: 756-767 doi: 10.1002/open.201500162

  10. Johanna Kastl, Joachim Braun, Andreas Prestel, Heiko M Möller, Thomas Huhn, and Thomas U. Mayer, Mad2 Inhibitor-1 (M2I-1): A Small Molecule Protein–Protein Interaction Inhibitor Targeting the Mitotic Spindle Assembly CheckpointACS Chem. Biol., 2015, 10 (7), pp 1661–1666; doi: 10.1021/acschembio.5b00121

  11. Thomas E Exner, Andrea Frank, Heiko M Möller, Martin Dracínský, Can quantum-chemical NMR chemical shifts be used as criterion for force-field development J Cheminformatics, 6, 1 (2014) doi: 10.1186/1758-2946-6-S1-O2

  12. Andrea Victora, Heiko M. Möller, Thomas E. Exner, Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexes Nucl. Acids Res. (16 December 2014) 42 (22): e173. doi: 10.1093/nar/gku1006

  13. G. Vohl, R. Nedielkov, B. Claussen, M. Casutt, T. Vorburger, K. Diederichs, H. M. Möller, J. Steuber and G. Fritz Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae Acta Crystallogr F Struct Biol Commun. 2014 Jul;70(Pt 7):987-92. doi: 10.1107/S2053230X14009881.

  14. Holert, J.; Yücel, O.; Suvekbala, V.; Kulić, Ž.; Möller, H.M. and Philipp*, B. Evidence of distinct pathways for bacterial degradation of the steroid compound cholate indicates the potential for metabolic interactions by interspecies cross-feeding J. Bacteriol. February 2013 vol. 195 no. 3 585-595. doi: 10.1128/JB.01961-12

  15. Nedielkov, R.; Steffen, W.; Steuber*, J.; Möller*, H.M. NMR reveals double occupancy of quinone-type ligands in the catalytic quinone binding site of the Na+-translocating NADH:quinone oxidoreductase from Vibrio cholerae J. Biol. Chem., 288, 30597-606 (2013).

  16. Kulić, Ž.; Fritz, G. and Möller*, H.M. 1H, 13C, and 15N resonance assignments of the second immunoglobulin domain of neurolin from Carassius auratus. J. Biomol. NMR. Assignments, 7, 65-7 (2013).

  17. Soshnikov, I.E.; Semikolenova, N.V.; Zakharov, V.A.; Möller, H.M.; Ölscher, F.; Osichow, A.; Göttker-Schnettmann, I.; Mecking*, S.; Talsi, E.P. and Bryliakov*, K.P. Formation and Evolution of Chain-Propagating Species Upon Ethylene Polymerization with Neutral Salicylaldiminato Nickel(II) Catalysts Chem. Eur. J., 19, 11409-17 (2013).

  18. Hauck, D.; Joachim, I.; Frommeyer, B.; Varrot. A.; Philipp, B.; Möller, H.M.; Imberty, A.; Exner, T.E. and Titz*, A. Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas aeruginosa LecB with Distinct Binding Modes ACS Chem Biol, 8, 1775-84 (2013).

  19. Dracinsky, M.; Möller, H.M. and Exner*, T.E. Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions J. Chem. Theory Comput., 9, 3806-15 (2013).

  20. Lavrynenko, O.; Nedielkov, R.; Möller, H.M. and Shevchenko*, A. Girard Derivatization for LC-MS/MS Profiling of Endogenous Ecdysteroids in Drosophila J. Lipid Res., 54, 2265-72 (2013).

  21. Frank, A.; Berkefeld, A.; Drexler, M.; Möller, H.M. and Exner*, T.E. Small Changes - Huge Influences: NMR Chemical Shifts of NI(II) Complexes with Polar Substrates Int. J. Quant. Chem., 113, 1787-93 (2013).

  22. Holert, J.; Kulić, Ž.; Yücel, O.; Suvekbala, V.; Suter, M.J.F.; Möller*, H.M. and Philipp*, B. Degradation of the acyl side chain of the steroid compound cholate in Pseudomonas sp. strain Chol1 proceeds via an aldehyde intermediate J. Bacteriol., 195, 585-95 (2013).

  23. Exner*, T.E.; Frank, A.; Onila, I. and Möller*, H.M. Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins 3: Conformational Sampling and Explicit Solvents Model J. Chem. Theory Comput., 8, 4818-27 (2012).

  24. Rösle, P.; Dürr, C.J.; Möller*, H.M.; Cavallo, L.; Caporaso*, L. and Mecking*, S. Mechanistic Features of Isomerizing Alkoxycarbonylation of Methyl Oleate. J. Am. Chem. Soc., 134, 17696-703 (2012).

  25. Dempwolff, F.; Möller, H.M. and Graumann*, P. Synthetic motility and cell shape defects for deletions of flotillin/reggie paralogs in Bacillus subtilis and interplay with NfeD proteins. J. Bacteriol. 194, 4652-61 (2012).

  26. Beckmann, H.S.G.; Möller, H.M. and Wittmann*, V. High-affinity multivalent wheat germ agglutinin ligands by one-pot click reaction. Beilstein J. Org. Chem. 8, 819-26 (2012).

  27. Frank, A.; Möller, H.M. and Exner*, T.E. Towards the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins 2: Level of Theory, Basis Set, and Solvents Model Dependence. J. Chem. Theory Comput. 8, 1480-92 (2012).

  28. Rünzi, T.; Tritschler, U.; Rösle, P.; Göttker-Schnettmann, I.; Möller, H.M.; Caporaso*, L.; Poater, A.; Cavallo, L. and Mecking*, S. Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts. Organometallics 31, 8388-406 (2012).

  29. Holzberger, B.; Pszolla, M.G.; Marx, A. and Möller*, H.M. KlenTaq DNA Polymerase Adopts Unique Recognition States when Encountering Matched, Mismatched, and Abasic Template Sites: An NMR Study. ChemBioChem. 13, 635-639 (2012).

  30. Möller*, H.M.; Baier, M.C.; Mecking, S.; Talsi, E.P. and Bryliakov*, K.P. The Origin of Living Polymerization with an o-Fluorinated Catalyst: NMR-Spectroscopic Characterization of Chain-Propagating Species. Chem. Eur. J. 18, 848-56 (2012).

  31. Casutt, M.S.; Nedielkov, R.; Wendelspiess, S.; Vossler, S.; Gerken, U.; Murai, M.; Miyoshi, H.; Möller*, H.M. and Steuber*, J. Localization of ubiquinone-8 in the Na+-pumping NADH:quinone oxidoreductase from Vibrio cholerae. J. Biol. Chem. 286, 40075-82 (2011).

  32. Lukzen*, N. and Möller*, H.M. Theoretical description of protein NMR saturation transfer to a bioactive ligand. Appl. Magn. Reson. 41, 325-36 (2011).

  33. Frank, A.; Onila, I.; Möller, H.M. and Exner*, T.E. Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins. Proteins 79, 2189-202 (2011).

  34. Birkenmaier, A.; Möller, H.M. and Philipp*, B. Identification of a thiolase gene essential for b-oxidation of the acyl side chain of the steroid compound cholate in Pseudomonas sp. strain Chol1. FEMS Microbiol. Lett. 318, 123-30 (2011).

  35. Orbán, E.; Mezõ, G.; Schlage, P.; Csík, G.; Kulić, Ž.; Ansorge, P.; Fellinger, E.; Möller, H. M. and Manea*, M. In vitro degradation and antitumor activity of oxime bond-linked daunorubicin-GnRH-III bioconjugates and DNA-binding properties of daunorubicin-amino acid metabolites. Amino Acids 41, 469-83 (2011).

  36. Oberli, M.; Tamborrini, M.; Tsai, Y.-H.; Werz, D. B.; Horlacher, T.; Adibekian, A.; Gauss, D.; Möller, H. M.; Pluschke, G. and Seeberger*, P. H. Molecular Analysis of Carbohydrate-Antibody Interactions: Case Study Using A Bacillus anthracis Tetrasaccharide. J. Am. Chem. Soc. 132, 10239-41 (2010).

  37. Fischer, G. M.; Jüngst, C.; Krondahl-Isomäki, M.; Gauss, D.; Möller, H. M.; Daltrozzo, E. and Zumbusch*, A. Asymmetric PPCys: Strongly fluorescing NIR labels. ChemComm 46, 5289-91 (2010). selected by SYNFACTS

  38. Bryliakov*, K.P.; Talsi, E.P.; Möller, H. M.; Baier, M. and Mecking*, S. Noncovalent Interactions in o-Fluorinated Post-titanocene Living Ethylene Polymerization Catalyst. Organometallics 29, 4428-30 (2010).

  39. Schwefel, D.; Maierhofer, C.; Beck, J.G.; Seeberger, S.; Möller*, H. M.; Welte*, W. and Wittmann*, V. Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J. Am. Chem. Soc. 132, 8704-19 (2010).

  40. Korb, O.; Möller, H. M. and Exner*, T. E. NMR-Guided Molecular Docking of a Protein-Peptide Complex Based on Ant Colony Optimization. ChemMedChem 5, 1001-6 (2010).

  41. Holzberger, B.; Rubini, M.; Möller, H. M. and Marx*, A. A Highly Active DNA Polymerase with a Fluorous Core. Angew. Chem. Int. Ed. 49, 1324-7 (2010).

  42. Berkefeld, A.; Drexler M. ; Möller, H. M. and Mecking*, S. Mechanistic Insights on the Copolymerization of Polar Vinyl Monomers with Neutral Ni(II) Catalysts. J. Am. Chem. Soc. 131, 12613-22 (2009).

  43. Berkefeld, A.; Möller, H. M. and Mecking*, S. Unusual Reactivity of N,N,N’,N’-Tetramethylethylenediamine Coordinated Neutral Ni(II)Polymerization Catalysts. Organometallics 28, 4048-55 (2009).

  44. Hinderhofer, M.; Walker, C. A.; Friemel, A.; Stuermer, C. A. O.; Möller§, H. M. and Reuter§*, A. Evolution of prokaryotic SPFH proteins. BMC Evolutionary Biology 9(10) (2009). (§ equal contribution)

  45. Streckenbach, F.; Rangam, G.; Möller, H. M. and Marx*, A. Steric Constraints Dependent on Nucleobase Pair Orientation vary in different DNA Polymerase Active Sites. ChemBioChem. 10,1630-2 (2009).

  46. Walker, C.A.; Hinderhofer, M.; Witte, D.J.; Boos, W. and Möller*, H. M. Solution structure of the soluble domain of the NfeD protein YuaF from Bacillus subtilis. J. Biomol. NMR. 42, 69-76 (2008).

  47. Drees, C.; Stürmer, C. A. O.; Möller*, H. M. and Fritz*, G. Expression and Purification of Neurolin Immunoglobulin domain 2 from Carrassius auratus (Goldfish) in Escherichia coli. Protein Expr. Purif. 59, 47-54 (2008).

  48. Draing, C.; Traub, S.; Deininger, S.; Mang1, P.; Möller, H. M.; Manso, M.; Rossi, F.; Morath, S.; Hartung, T. and von Aulock*, S. Polypropylene glycol is a selective binding inhibitor for LTA and other structurally related TLR2 agonists. Eur. J. Immunol. 38, 797-808 (2008).

  49. Deininger, S.; Traub, S.; Aichele, D.; Rupp, T.; Baris, T.; Möller, H. M.; Hartung, T. and von Aulock*, S. Presentation of lipoteichoic acid potentiates its inflammatory activity. Immunobiology. 213, 519-529 (2008).

  50. André, A.; Fontaine-Vive, F.; Forsyth, V. T.; Möller, H. M.; Fischer, T.; Maret, G. and Gisler*, T. Force-induced structural transitions in cross-linked DNA Films. Eur. Biophys. J. 37, 749-757 (2008).

  51. Birkenmaier, A., Holert, J., Erdbrink, H., Moeller, H.M., Friemel, A., Schoenenberger, R., Suter, M.J. , Klebensberger, J. and Philipp*, B. Biochemical and Genetic Investigation of Initial Reactions in Aerobic Degradation of the Bile Acid Cholate in Pseudomonas sp. Strain Chol1. J. Bacteriol., 189, 7165-73 (2007).

  52. Möller, H. M.; Martinez-Yamout, M. A.; Dyson, H. J., and Wright*, P. E. Solution structure of the N-terminal zinc fingers of the Xenopus laevis double-stranded RNA-binding protein ZFa. J. Mol. Biol. 351, 718-30. (2005).

  53. Möller, H. M.; Serttas, N.; Paulsen, H.; Burchell, J. M., Taylor-Papadimitriou, J. and Meyer*, B. NMR-based determination of the binding epitope and conformational analysis of MUC-1 glycopeptides and peptides bound to the breast cancer-selective monoclonal antibody SM3. Eur. J. Biochem. 269, 1444-55. (2002).


    Möller*, H. M. NMR-gestütztes Design neuer anti-HIV-Wirkstoffe: Synthese, Struktur und Bindung von Peptidmimetika als Inhibitoren der GP120/CD4 Interaktion, Dissertation, Universität Hamburg. (2004).

Review articles

  1. Möller*, H. M. Ligand und Rezeptor - Mit NMR-Spektroskopie molekularen Interaktionen auf der Spur. In: G.I.T. Labor-Fachzeitschrift, Weinheim: G.I.T.-Verlag / Wiley-VCH, 11, 808-810 (2012).

  2. Meyer, B., and Möller*, H. M. Conformation of Glycopeptides and Glycoproteins. In: Topics in Current Chemistry: Glycopeptides and Glycoproteins (Wittmann, V., ed), 267, 187-251 (2006).

  3. Meyer, B.; Klein, J.; Mayer, M.; Meinecke, R.; Möller, H.; Neffe, A.; Schuster, O.; Wülfken, J.; Ding, Y.; Knaie, O.; Labbe, J.; Palcic, M. M.; Hindsgaul, O.; Wagner, B., and Ernst, B. Saturation transfer difference NMR spectroscopy for identifying ligand epitopes and binding specificities. Ernst Schering Res. Found. Workshop. 44, 149-67. (2004).