Publications of the Department (MPG.PuRe list)

Lakomek, N. A.; Lange, O.; Walter, K.; Fares, C.; Egger, D.; Lunkenheimer, P.; Meiler, J.; Grubmueller, H.; Becker, S.; de Groot, B. L. et al.; Griesinger, C.: Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions 36 (6), pp. 1433 - 1437 (2008)

Wozniak, A. K.; Schroeder, G. F.; Grubmueller, H.; Seidel, C. A. M.; Oesterhelt, F.: Single-molecule FRET measures bends and kinks in DNA. Proceedings of the National Academy of Sciences of the United States of America 105 (47), pp. 18337 - 18342 (2008)

Nagendran, S.; Sen, S. S.; Roesky, H. W.; Koley, D.; Grubmueller, H.; Pal, A.; Herbst-Irmer, R.: RGe(I)Ge(I)R compound (R = PhC(NtBu)₂) with a Ge−Ge single bond and a comparison with the gauche conformation of hydrazine. Organometallics 27 (21), pp. 5459 - 5463 (2008)

Stumpe, M.; Grubmueller, H.: Polar or apolar—The role of polarity for urea-induced protein denaturation. PLoS Computational Biology 4 (11), e100221 (2008)

Puchner, E. M.; Alexandrovich, A.; Kho, A. L.; Hensen, U.; Schaefer, L.; Brandmeier, B.; Graeter, F.; Grubmueller, H.; Gaub, H. E.; Gautel, M.: Mechanoenzymatics of titin kinase. Proceedings of the National Academy of Scienes of the United States of America 105 (36), pp. 13385 - 13390 (2008)

Kubitzki, M. B.; de Groot, B. L.: The atomistic mechanism of conformational transition in adenylate kinase: a TEE-REX molecular dynamics study. Structure 16 (8), pp. 1175 - 1182 (2008)

Fabiano, E.; Groenhof, G.; Thiel, W.: Approximate switching algorithms for trajectory surface hopping. Chemical Physics 351 (1-3), pp. 111 - 116 (2008)

Lakomek, N. A.; Walter, K.; Fares, C.; Lange, O.; de Groot, B. L.; Grubmueller, H.; Brueschweiler, R.; Munk, A.; Becker, S.; Meiler, J. et al.; Griesinger, C.: Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics. Journal of Biomolecular NMR 41 (3), pp. 139 - 155 (2008)

Lange, O.F.; Lakomek, N. A.; Fares, C.; Schroeder, G. F.; Walter, K.; Becker, S.; Meiler, J.; Grubmueller, H.; Griesinger, C.; de Groot, B. L.: Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science 320 (5882), pp. 1471 - 1475 (2008)

Zachariae, U.; Grubmueller, H.: Importin-β: structural and dynamic determinants of a molecular spring. Structure 16 (6), pp. 906 - 915 (2008)

Zachariae, U.; Schneider, R.; Velisetty, P.; Lange, A.; Seeliger, D.; Wacker, S.; Karimi-Nejad, J.; Vriend, G.; Becker, S.; Pongs, O. et al.; Baldus, M.; de Groot, B. L.: The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation. Structure 16 (5), pp. 747 - 754 (2008)

Groenhof, G.; Schaefer, L.; Boggio-Pasqua, M.; Grubmueller, H.; Robb, M. A.: Arginine52 controls the photoisomerization process in photoactive yellow protein. Journal of the American Chemical Society 130 (11), pp. 3250 - 3251 (2008)

Hartmann, C.; Chami, M.; Zachariae, U.; de Groot, B. L.; Engel, A.; Gruetter, M. G.: Vacuolar protein sorting: two different functional states of the AAA-ATPase Vps4p. Journal of Molecular Biology 377 (2), pp. 352 - 363 (2008)

Lange, O.; Grubmueller, H.: Full correlation analysis of conformational protein dynamics. Proteins 70 (4), pp. 1294 - 1312 (2008)

Klyszejko, A. L.; Shastri, S.; Mari, S. A.; Grubmueller, H.; Mueller, D. J.; Glaubitz, C.: Folding and assembly of proteorhodopsin. Journal of Molecular Biology 376 (1), pp. 35 - 41 (2008)

Hub, J.; de Groot, B. L.: Mechanism of selectivity in aquaporins and aquaglyceroporins. Proceedings of the National Acadamy of Sciences of the United States of America 105 (4), pp. 1198 - 1203 (2008)

Boeckmann, R. A.; de Groot, B. L.; Kakorin, S.; Neumann, E.; Grubmueller, H.: Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophysical Journal 95, pp. 1837 - 1850 (2008)

Grubmueller, H.: Wunderwerke der Evolution. Physik in unserer Zeit 39 (1), p. 3 - 3 (2008)

Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E.: GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. Journal of Chemical Theory and Computation 4 (3), pp. 435 - 447 (2008)

Mueller, E. M.; Hub, J.; Grubmueller, H.; de Groot, B. L.: Is TEA an inhibitor for human Aquaporin-1? Pfluegers Archiv 456 (4), pp. 663 - 669 (2008)

Portella, G.; Hub, J.; Vesper, M. D.; de Groot, B. L.: Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels. Biophysical Journal 95, pp. 2275 - 2282 (2008)

Schaefer, L.; Groenhof, G.; Boggio-Pasqua, M.; Robb, M. A.; Grubmueller, H.: Chromophore protonation state controls photoswitching of the fluoroprotein asFP595. PLoS Computational Biology 4 (3), e1000034 (2008)

Hayward, S.; de Groot, B. L.: Normal modes and essential dynamics. In: Molecular modeling of proteins, pp. 89 - 106 (Ed. Kukol, A.). Humana Pr., Totowa, N. Y. (2008)