Most Relevant Publications of the Research Areas
Research Area B “Connecting Solvation Dynamics with Biomolecular Function”
| 1. | M. Grossmann, B. Born, M. Heyden, D. Tworowski, G.B. Fields, I. Sagi, M. Havenith, Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active site, Nat. Struct. Mol. Biol. accepted July 7 (2011). |
| 2. | M.A. Schroer, J. Markgraf, D.C.F. Wieland, Ch.J. Sahle, J. Möller, M. Paulus, M. Tolan, R. Winter, Nonlinear pressure dependence of the interaction potential of dense protein solutions, Phys. Rev. Lett. 106, 178102 (2011). |
| 3. | G. Gasser, A.M. Sosniak, N. Metzler-Nolte, Metal-containing peptide nucleic acid conjugates, Dalton Trans., 40, 7061 (2011) |
| 4. | S. Ebbinghaus, A. Dhar, J.D. McDonald, M. Gruebele, Protein folding stability and dynamics imaged in a living cell, Nat. Methods 7, 319 (2010). |
| 5. | S. Ebbinghaus, K. Meister, B. Born, A.L. DeVries, M. Gruebele, M. Havenith. Antifreeze glycoprotein activity correlates with long-range protein-water dynamics, J. Am. Chem. Soc. 132, 12210 (2010). |
| 6. | M. Heyden, J. Sun, S. Funkner, G. Mathias, H. Forbert, M. Havenith, D. Marx, Dissecting the THz spectrum of liquid water from first principles via correlations in time and space, Proc. Natl. Acad. Sci. U.S.A. 107, 12068 (2010). |
| 7. | W. Hild, K. Pollinger, A. Caporale, C. Cabrele, M. Keller, N. Pluym, A. Buschauer, R. Rachel, J. Tessmar, M. Breunig, A. Goepferich, G protein-coupled receptors function as logic gates for nano-partilce binding and cell uptake, Proc. Natl. Acad. Sci. U.S.A. 107, 10667 (2010). |
| 8. | J. Rinnenthal, B. Klinkert, F. Narberhaus, H. Schwalbe, Direct observation of the temperatureinduced melting process of the Salmonella fourU RNA thermometer at base-pair resolution, Nucleic Acids Res. 38, 3834 (2010). |
| 9. | H.M. Senn, W. Thiel, QM/MM methods for biomolecular systems, Angew. Chem. Int. Ed. 48, 1198 (2009). |
| 10. | F. Evers, C. Jeworrek, S. Tiemeyer, K. Weise, D. Sellin, M. Paulus, B. Struth, M. Tolan, R. Winter, Elucidating the mechanism of lipid membrane-induced IAPP fibrillogenesis and its inhibition by the red wine compound resveratrol: A synchrotron x-ray reflectivity study. J. Am. Chem. Soc. 131, 9516 (2009). |
| 11. | N. Jukam, S.S. Dhillon, D. Oustinov, J. Madéo, C. Manquest, S. Barbieri, C. Sirtori, S.P. Khanna, E.H. Linfield, A.G. Davies, J. Tignon, Terahertz amplifier based on gain switching in a quantum cascade laser, Nat. Photon. 3, 715 (2009). |
| 12. | M. Hothorn, H. Neumann, E.D. Lenherr, M. Wehner, V. Rybin, P.O. Hassa, A. Uttenweiler, M. Reinhardt, A. Schmidt, J. Seiler, A.G. Ladurner, C. Herrmann, K. Scheffzek, A. Mayer, Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase, Science 324, 513 (2009). |
| 13. | B. Born, H. Weingärtner, E. Bründermann, M. Havenith, Solvation dynamics of model peptides probed by terahertz spectroscopy. Observation of the onset of collective network motions, J. Am. Chem. Soc. 131, 3752 (2009). |
| 14. | W.H. James III, C.W. Müller, E.G. Buchanan, M.G.D. Nix, L. Guo, L. Roskop, M.S. Gordon, L.V. Slipchenko, S.H. Gellman, T.S. Zwier, Intramolecular amide stacking and its competition with hydrogen bonding in a small foldamer, J. Am. Chem. Soc. 131, 14243 (2009). |
| 15. | T. Benighaus, W. Thiel, A general boundary potential for hybrid QM/MM simulations of solvated biomolecular systems, J. Chem. Theory Comput. 5, 3114 (2009). |
| 16. | D.A. Schmidt, Ö. Birer, S. Funkner, B. Born, R. Gnanasekaran, G. Schwaab, D.M. Leitner, M. Havenith, Rattling in the cage: ions as probes of sub-ps water network dynamics. J. Am. Chem. Soc. 131, 18512 (2009). |
| 17. | S.J. Kim, B. Born, M. Havenith, M. Gruebele, Real-time detection of protein-water dynamics upon protein folding by Terahertz absorption, Angew. Chem. Int. Ed. 47, 6486 (2008). |
| 18. | S. Ebbinghaus, S.J. Kim, M. Heyden, X. Yu, U. Heugen, M. Gruebele, D.M. Leitner, M. Havenith, An extended dynamical solvation shell around proteins, Proc. Natl. Acad. Sci. U.S.A. 104, 20749 (2007). |
| 19. | G. Mathias, D. Marx, Structures and spectral signatures of protonated water networks in bacteriorhodopsin, Proc. Natl. Acad. Sci. U.S.A. 104, 6980 (2007). |
| 20. | D. Constantinescu, H. Weingärtner, C. Herrmann, Protein denaturation by ionic liquids and the Hofmeister series: A case study of aqueous solutions of ribonuclease, Angew. Chem. Int. Ed. 46, 8887 (2007). |
| 21. | L.V. Kulik, B. Epel, W. Lubitz, J. Messinger, Electronic structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn ENDOR and EPR spectroscopy, J. Am. Chem. Soc. 129, 13421 (2007). |
| 22. | W. Lubitz, E. Reijerse, M. van Gastel, [NiFe] and [FeFe] hydrogenases studied by advanced magnetic resonance techniques, Chem. Rev. 107, 4331 (2007). |
| 23. | A. Chandra, M.E. Tuckerman, D. Marx, Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions, Phys. Rev. Lett. 99, 145901-1- (2007). |
| 24. | U. Heugen, G. Schwaab, E. Bründermann, M. Heyden, X. Yu, D.M. Leitner, M. Havenith, Solute-induced retardation of water dynamics probed directly by THz spectroscopy, Proc. Natl. Acad. Sci. U.S.A. 103, 12301 (2006). |
| 25. | C. Kolano, J Helbing, M. Kozinski, W. Sander, P. Hamm, Ultrafast β-turn opening observed by transient 2D–IR spectroscopy, Nature 444, 469 (2006). |
| 26. | H. Weingärtner, E.U. Franck, Supercritical water as solvent, Angew. Chem. 44, 2672 (2005). |
| 27. | E. Schreiner, C. Nicolini, B. Ludolph, R. Ravindra, N. Otte, A. Kohlmeyer, R. Rousseau, R. Winter, D. Marx, Folding and unfolding of an elastin-like oligopeptide: Inverse temperature transition, re-entrance, and hydrogen-bond dynamics, Phys. Rev. Lett. 92, 14801 (2004). |
| 28. | M.T. Kirchner, R. Boese, W.E. Billups, L.R. Norman, Gas hydrate single crystal structure analysis, J. Am. Chem. Soc. 126, 9407 (2004). |