Publikationen der Abteilung für Theoretische Biophysik (TB)

Hummer, G.; Köfinger, J.: Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 143 (24), S. 243150-1 - 243150-14 (2015)

Vögele, M.; Holm, C.; Smiatek, J.: Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium). The Journal of Chemical Physics 143, S. 243151-1 - 243151-8 (2015)

Blees, A.; Reichel, K.; Trowitzsch, S.; Fisette, O.; Bock, C.; Abele, R.; Hummer, G.; Schäfer, L. V.; Tampé, R.: Assembly of the MHC I peptideloading complex determined by a conserved ionic lock-switch. Scientific Reports 5, 17341 (2015)

Cossio, P.; Hummer, G.; Szabo, A.: On artifacts in single-molecule force spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 112 (46), S. 14248 - 14253 (2015)

Barends, T. R.M.; Foucar, L.; Ardevol, A.; Nass, K.; Aquila, A.; Botha, S.; Doak, R. B.; Falahati, K.; Hartmann, E.; Hilpert, M. et al.; Heinz, M.; Hoffmann, M. C.; Köfinger, J.; Koglin, J. E.; Kovacsova, G.; Liang, M.; Milathianaki, D.; Lemke, H. T.; Reinstein, J.; Roome, C. M.; Shoeman, R. L.; Williams, G. J.; Burghardt, I.; Hummer, G.; Boutet, S.; Schlichting, I.: Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science 350 (6259), S. 445 - 450 (2015)

Mantsyzov, A. B.; Shen, Y.; Lee, J. H.; Hummer, G.; Bax, A.: MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data. Journal of Biomolecular NMR 63 (1), S. 85 - 95 (2015)

Okazaki, K.-i.; Hummer, G.: Elasticity, friction, and pathway of γ-subunit rotation in F_oF₁-ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 112 (34), S. 10720 - 10725 (2015)

Hummer, G.; Szabo, A.: Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models. The Journal of Physical Chemistry B 119 (29), S. 9029 - 9037 (2015)

Sali, A.; Berman, H. M.; Schwede, T.; Trewhella, J.; Kleywegt, G.; Burley, S. K.; Markley, J.; Nakamura, H.; Adams, P.; Bonvin, A. M.J.J. et al.; Chiu, W.; Dal Peraro, M.; Di Maio, F.; Ferrin, T. E.; Grünewald, K.; Gutmanas, A.; Henderson, R.; Hummer, G.; Iwasaki, K.; Johnson, G.; Lawson, C. L.; Meiler, J.; Marti-Renom, M. A.; Montelione, G. T.; Nilges, M.; Nussinov, R.; Patwardhan, A.; Rappsilber, J.; Read, R. J.; Saibil, H.; Schröder, G. F.; Schwieters, C. D.; Seidel, C. A.M.; Svergun, D.; Topf, M.; Ulrich, E. L.; Velankar, S.; Westbrook, J. D.: Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop. Structure 23 (7), S. 1156 - 1167 (2015)

Craveur, P.; Joseph, A. P.; Esque, J.; Narwani, T. J.; Noël, F.; Shinada, N.; Goguet, M.; Leonard, S.; Poulain, P.; Bertrand, O. et al.; Faure, G.; Rebehmed, J.; Ghozlane, A.; Swapna, L. S.; Bhaskara, R.; Barnoud, J.; Téletchéa, S.; Jallu, V.; Cerny, J.; Schneider, B.; Etchebest, C.; Srinivasan, N.; Gelly, J.-C.; de Brevern, A. G.: Protein flexibility in the light of structural alphabets. Frontiers in Molecular Biosciences 2, 20 (2015)

Kmita, K.; Wirth, C.; Warnau, J.; Guerrero-Castillo, S.; Hunte, C.; Hummer, G.; Kaila, V. R.I.; Zwicker, K.; Brandt, U.; Zickermann, V.: Accessory NUMM (NDUFS6) subunit harbors a Zn-binding site and is essential for biogenesis of mitochondrial complex I. Proceedings of the National Academy of Sciences of the United States of America 112 (18), S. 5685 - 5690 (2015)

Köfinger, J.; Ragusa, M. J.; Lee, I.-H.; Hummer, G.; Hurley, J. H.: Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 23 (5), S. 809 - 818 (2015)

Wikström, M.; Sharma, V.; Kaila, V. R.I.; Hosler, J. P.; Hummer, G.: New Perspectives on Proton Pumping in Cellular Respiration. Chemical Reviews 115 (5), S. 2045 - 2222 (2015)

Gamiz-Hernandez, A. P.; Magomedov, A.; Hummer, G.; Kaila, V. R.I.: Linear Energy Relationships in Ground State Proton Transfer and Excited State Proton-Coupled Electron Transfer. The Journal of Physical Chemistry B 119 (6), S. 2611 - 2619 (2015)

Rosta, E.; Hummer, G.: Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model. Journal of Chemical Theory and Computation 11 (1), S. 276 - 285 (2015)

Mehdipour, A. R.: Computational study of transport mechanism in LeuT fold transporters. Dissertation, 187 S., Fachbereich Biochemie, Chemie und Pharmazie, Goethe Universität, Frankfurt am Main (2015)

Heinz, M.: Protein Ligand Dynamics in Myoglobin. Master, 66 S., Institut für Physikalische und Theoretische Chemie, Goethe-Universität Frankfurt, Frankfurt am Main (2015)

Jung, H.: „Shooting from the top“: Transition path sampling of paths with variable length. Bachelor, 45 S., Fachbereich Biophysik, Johann Wolfgang Goethe-Universität Frankfurt, Frankfurt am Main (2015)