Publications of H. Grubmueller

Rief, M.; Grubmueller, H.: Force spectroscopy of single biomolecules. ChemPhysChem 3 (3), pp. 255 - 261 (2002)

Böckmann, R. A.; Grubmueller, H.: Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F-1-ATP synthase. Nature Structural Biology 9 (3), pp. 198 - 202 (2002)

Mueller, E. M.; de Meijere, A.; Grubmueller, H.: Predicting unimolecular chemical reactions: Chemical flooding. Journal of Chemical Physics 116 (3), pp. 897 - 905 (2002)

de Groot, B. L.; Grubmueller, H.: Aquaporine - Wasserfilter der Zelle. Bioforum 6, pp. 387 - 389 (2002)

de Groot, B. L.; Grubmueller, H.: Proteine als Filter reinsten Wassers. Max Planck Forschung 1, pp. 8 - 9 (2002)

Grubmueller, H.: Mechanik molekularer "Maschinen'' am Beispiel des Aquaporins und der F1-ATPase. Jahrbuch der Max-Planck-Gesellschaft, pp. 121 - 125 (2002)

de Groot, B. L.; Daura, X.; Mark, A. E.; Grubmueller, H.: Essential dynamics of reversible peptide folding: Memory-free conformational dynamics governed by internal hydrogen bonds. Journal of Molecular Biology 309 (1), pp. 299 - 313 (2001)

de Groot, B. L.; Engel, A.; Grubmueller, H.: A refined structure of human Aquaporin 1. FEBS Letters 504 (3), pp. 206 - 211 (2001)

de Groot, B. L.; Grubmueller, H.: Water permeation across biological membranes: Mechanism and dynamics of Aquaporin-1 and GlpF. Science 294, pp. 2353 - 2357 (2001)

Heymann, B.; Grubmueller, H.: Molecular dynamics force probe simulations of antibody/antigen unbinding: Entropic control and non-additivity of unbinding forces. Biophysical Journal 81 (3), pp. 1295 - 1313 (2001)

Rief, M.; Grubmueller, H.: Kraftspektroskopie von einzelnen Biomolekülen. Physikalische Blätter 2, pp. 55 - 61 (2001)

de Groot, B. L.; Heymann, B.; Engel, A.; Mitsuoka, K.; Fujiyoshi, Y.; Grubmueller, H.: The fold of human Aquaporin 1. Journal of Molecular Biology 300, pp. 987 - 994 (2000)

Heymann, B.; Grubmueller, H.: Dynamic force spectroscopy of molecular adhesion bonds. Physical Review Letters 84, pp. 6126 - 6129 (2000)

Ossig, R.; Schmitt, H. D.; de Groot, B. L.; Riedel, D.; Keraenen, S.; Ronne, H.; Grubmueller, H.; Jahn, R.: Exocytosis requires asymmetry in the central layer of the SNARE complex. EMBO Journal 19, pp. 6000 - 6010 (2000)

Schulze, B.; Grubmueller, H.; Evanseck, J. D.: Functional significance of hierarchical tiers in carbonmonoxy myoglobin: Conformational substates and transitions studied by conformational flooding simulations. Journal of the American Chemical Society 122, pp. 8700 - 8711 (2000)

Grubmüller, H.; Heymann, B.: Proteindynamik von Ligand/Rezeptor-Bindungen. MPIbpc News 1, pp. 1 - 4 (1999)

Heymann, B.; Grubmueller, H.: AN02/DNP-hapten unbinding forces studied by molecular dynamics atomic force microscopy simulations. Chemical Physics Letters 303, pp. 1 - 9 (1999)

Heymann, B.; Grubmueller, H.: ’Chair-boat‘ transitions and side groups affect the stiffness of polysaccharides. Chemical Physics Letters 305, pp. 202 - 208 (1999)

Heymann, B.; Grubmüller, H.: Elastic properties of poly(ethylene-glycol) studied by molecular dynamics stretching simulations. Chemical Physics Letters 307, pp. 425 - 432 (1999)

Grubmüller, H.; Tavan, P.: Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they? Journal of computational chemistry 19 (13), pp. 1534 - 1552 (1998)