Publications of Gerhard Hummer

Journal Article (317)

101.
Journal Article
Karathanasis, C.; Frick, F.; Hummer, G.; Heilemann, M.: Molecule Counts in Localization Microscopy with Organic Fluorophores. ChemPhysChem 18 (8), pp. 942 - 948 (2017)
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102.
Journal Article
Bhaskara, R.; Linker, S. M.; Vögele, M.; Köfinger, J.; Hummer, G.: Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 11 (2), pp. 1273 - 1280 (2017)
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103.
Journal Article
Simonson, T.; Hummer, G.; Roux, B.: Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies. The Journal of Physical Chemistry A 121 (7), pp. 1525 - 1530 (2017)
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104.
Journal Article
Nöll, A.; Christoph, T.; Herbring, V.; Zollmann, T.; Barth, K.; Mehdipour, A. R.; Tomasiak, T. M.; Brüchert, S.; Joseph, B.; Abele, R. et al.; Oliéric, V.; Wang, M.; Diederichs, K.; Hummer, G.; Stroud, R. M.; Pos, K. M.; Tampé, R.: Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Proceedings of the National Academy of Sciences of the United States of America 114 (4), pp. E438 - E447 (2017)
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105.
Journal Article
Cossio, P.; Rohr, D.; Baruffa, F.; Rampp, M.; Lindenstruth, V.; Hummer, G.: BioEM: GPU-accelerated computing of Bayesian inference of electron microscopy images. Computer Physics Communications 210 (01), pp. 163 - 171 (2017)
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106.
Journal Article
Diskowski, M.; Mehdipour, A. R.; Wunnicke, D.; Mills, D. J.; Mikusevic, V.; Bärland, N.; Hoffmann, J.; Morgner, N.; Steinhoff, H.-J.; Hummer, G.: Helical jackknives control the gates of the double-pore K+ uptake system KtrABs. eLife, pp. 1 - 21 (2017)
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107.
Journal Article
Hummer, G.; Fricke, F.; Heilemann, M.: Model-independent counting of molecules in single-molecule localization microscopy. Molecular Biology of the Cell 27 (22), pp. 3637 - 3644 (2016)
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108.
Journal Article
Lehnert, E.; Mao, J.; Mehdipour, A. R.; Hummer, G.; Abele, R.; Glaubitz, C.; Tampé, R.: Antigenic Peptide Recognition on the Human ABC Transporter TAP Resolved by DNP-Enhanced Solid-State NMR Spectroscopy. Journal of the American Chemical Society 138 (42), pp. 13967 - 13974 (2016)
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109.
Journal Article
Vögele, M.; Hummer, G.: Divergent Diffusion Coefficients in Simulations of Fluids and Lipid Membranes. The Journal of Physical Chemistry B 25 (33), pp. 8722 - 8732 (2016)
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110.
Journal Article
Cossio, P.; Hummer, G.; Szabo, A.: Kinetic Ductility and Force-Spike Resistance of Proteins from Single-Molecule Force Spectroscopy. Biophysical Journal 111 (4), pp. 832 - 840 (2016)
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111.
Journal Article
Mehdipour, A. R.; Hummer, G.: Cardiolipin puts the seal on ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 113 (31), pp. 8568 - 8570 (2016)
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112.
Journal Article
Leahy, C. T.; Murphy, R. D.; Hummer, G.; Rosta, E.; Buchete, N.-V.: Coarse Master Equations for Binding Kinetics of Amyloid Peptide Dimers. The Journal of Physical Chemistry Letters 7 (14), pp. 2676 - 2682 (2016)
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113.
Journal Article
Covino, R.; Ballweg, S.; Stordeur, C.; Michaelis, J. B.; Puth, K.; Wernig, F.; Bahrami, A. H.; Ernst, A. M.; Hummer, G.; Ernst, R.: A Eukaryotic Sensor for Membrane Lipid Saturation. Molecular Cell 63 (1), pp. 49 - 59 (2016)
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114.
Journal Article
Hummer, G.; Wikström, M.: Molecular simulation and modeling of complex I. Biochimica et Biophysica Acta, Bioenergetics 1857 (7), pp. 915 - 921 (2016)
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115.
Journal Article
Sugawa, M.; Okazaki, K.-i.; Kobayashi, M.; Matsui, T.; Hummer, G.; Masaike, T.; Nishizaka, T.: F1-ATPase conformational cycle from simultaneous single-molecule FRET and rotation measurements. Proceedings of the National Academy of Sciences of the United States of America 113 (21), pp. E2916 - E2924 (2016)
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116.
Journal Article
Best, R.; Hummer, G.: Microscopic interpretation of folding ϕ-values using the transition path ensemble. Proceedings of the National Academy of Sciences of the United States of America 113 (12), pp. 3263 - 3268 (2016)
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117.
Journal Article
Hummer, G.; Köfinger, J.: Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 143 (24), pp. 243150-1 - 243150-14 (2015)
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118.
Journal Article
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)
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119.
Journal Article
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), pp. 14248 - 14253 (2015)
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120.
Journal Article
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), pp. 445 - 450 (2015)
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121.
Journal Article
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), pp. 85 - 95 (2015)
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122.
Journal Article
Okazaki, K.-i.; Hummer, G.: Elasticity, friction, and pathway of γ-subunit rotation in FoF1-ATP synthase. Proceedings of the National Academy of Sciences of the United States of America 112 (34), pp. 10720 - 10725 (2015)
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123.
Journal Article
Hummer, G.; Szabo, A.: Optimal Dimensionality Reduction of Multistate Kinetic and Markov-State Models. The Journal of Physical Chemistry B 119 (29), pp. 9029 - 9037 (2015)
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124.
Journal Article
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), pp. 1156 - 1167 (2015)
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125.
Journal Article
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), pp. 5685 - 5690 (2015)
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126.
Journal Article
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), pp. 809 - 818 (2015)
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127.
Journal Article
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), pp. 2045 - 2222 (2015)
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128.
Journal Article
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), pp. 2611 - 2619 (2015)
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129.
Journal Article
Rosta, E.; Hummer, G.: Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model. Journal of Chemical Theory and Computation 11 (1), pp. 276 - 285 (2015)
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130.
Journal Article
Nedialkova, L. V.; Amat, M. A.; Kevrekidis, I. G.; Hummer, G.: Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions. The Journal of Chemical Physics 141 (11), pp. 114102 - 114117 (2014)
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131.
Journal Article
Hummer, G.: Potassium ions line up. Do K+ ions move in single file through potassium channels? Science Magazine 346 (6207), p. 303 - 303 (2014)
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132.
Journal Article
Johnson, M. E.; Hummer, G.: Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems. Physical Review X 4 (3), pp. 031037 - 031058 (2014)
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133.
Journal Article
Mantsyzov, A. B.; Maltsev, A. S.; Ying, J.; Shen, Y.; Hummer, G.; Bax, A.: A maximum entropy approach to the study of residue-specific backbone angle distributions in α-synuclein, an intrinsically disordered protein. Protein Science 23 (9), pp. 1275 - 1290 (2014)
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134.
Journal Article
Kaila, V. R.I.; Wikström, M.; Hummer, G.: Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I. Proceedings of the National Academy of Sciences of the United States of America 111 (19), pp. 6988 - 6993 (2014)
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135.
Journal Article
Kaila, V. R.I.; Schotte, F.; Cho, H. S.; Hummer, G.; Anfinrud, P. A.: Contradictions in X-ray structures of intermediates in the photocycle of photoactive yellow protein. Nature Chemistry 6 (4), pp. 258 - 259 (2014)
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136.
Journal Article
Rosta, E.; Yang, W.; Hummer, G.: Calcium Inhibition of Ribonuclease H1 Two-Metal Ion Catalysis. Journal of the American Chemical Society 136 (8), pp. 3137 - 3144 (2014)
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137.
Journal Article
Hummer, G.; Dellago, C.: Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 16 (1), pp. 41 - 61 (2014)
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138.
Journal Article
Cossio, P.; Hummer, G.: Bayesian analysis of individual electron microscopy images: towards structures of dynamic and heterogeneous biomolecular assemblies. Journal of Structural Biology 184 (3), pp. 427 - 437 (2013)
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139.
Journal Article
Best, R. B.; Hummer, G.; Eaton, W. A.: Native contacts determine protein folding mechanisms in atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America 110 (44), pp. 17874 - 17879 (2013)
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140.
Journal Article
Johnson, M. E.; Hummer, G.: Evolutionary pressure on the topology of protein interface interaction networks. The Journal of Physical Chemistry B 117 (42), pp. 13098 - 13106 (2013)
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141.
Journal Article
Okazaki, K.-i.; Hummer, G.: Phosphate release coupled to rotary motion of F1-ATPase. Proceedings of the National Academy of Sciences of the United States of America 110 (41), pp. 16468 - 16473 (2013)
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142.
Journal Article
Johnson, M. E.; Hummer, G.: Interface-resolved network of protein-protein interactions. PLoS Computational Biology 9 (5), e1003065 (2013)
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143.
Journal Article
Köfinger, J.; Hummer, G.: Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 87, 052712 (2013)
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Full
144.
Journal Article
Grigoriu, S.; Bond, R.; Cossio, P.; Chen, J. A.; Ly, N.; Hummer, G.; Page, R.; Cyert, M. S.; Peti, W.: The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin. PLoS Biology 11 (2), e1001492 (2013)
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145.
Journal Article
Lans, I.; Medina, M.; Rosta, E.; Hummer, G.; Garcia-Viloca, M.; Lluch, J. M.; González-Lafont, À.: Theoretical study of the mechanism of the hydride transfer between ferredoxin-NADP+ reductase and NADP+: the role of Tyr303. Journal of the American Chemical Society 134 (50), pp. 20544 - 20553 (2012)
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146.
Journal Article
Schotte, F.; Cho, H. S.; Kaila, V. R. I.; Kamikubo, H.; Dashdorj, N.; Henry, E. R.; Graber, T. J.; Henning, R.; Wulff, M.; Hummer, G. et al.; Kataoka, M.; Anfinrud, P. A.: Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography. Proceedings of the National Academy of Sciences of the United States of America 109 (47), pp. 19256 - 19261 (2012)
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147.
Journal Article
Zhu, F.; Hummer, G.: Theory and simulation of ion conduction in the pentameric GLIC channel. Journal of Chemical Theory and Computation 8 (10), pp. 3759 - 3768 (2012)
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148.
Journal Article
Różycki, B.; Boura, E.; Hurley, J. H.; Hummer, G.: Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexes. PLoS Computational Biology 8 (10), e1002736 (2012)
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149.
Journal Article
Hummer, G.; Eaton, W. A.: Transition path times for DNA and RNA folding from force spectroscopy. Physics 5, 87 (2012)
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150.
Journal Article
Mittal, J.; Hummer, G.: Pair diffusion, hydrodynamic interactions, and available volume in dense fluids. The Journal of Chemical Physics 137 (3), 034110 (2012)
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151.
Journal Article
Zhu, F.; Hummer, G.: Drying transition in the hydrophobic gate of the GLIC channel blocks ion conduction. Biophysical Journal 103 (2), pp. 219 - 227 (2012)
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152.
Journal Article
Johnson, M. E.; Hummer, G.: Characterization of a dynamic string method for the construction of transition pathways in molecular reactions. The Journal of Physical Chemistry B 116 (29), pp. 8573 - 8583 (2012)
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153.
Journal Article
Waghe, A.; Rasaiah, J. C.; Hummer, G.: Entropy of single-file water in (6,6) carbon nanotubes. The Journal of Chemical Physics 137 (4), 044709 (2012)
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154.
Journal Article
Boura, E.; Różycki, B.; Chung, H. S.; Herrick, D. Z.; Canagarajah, B.; Cafiso, D. S.; Eaton, W. A.; Hummer, G.; Hurley, J. H.: Solution structure of the ESCRT-I and -II supercomplex: implications for membrane budding and scission. Structure 20 (5), pp. 874 - 886 (2012)
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155.
Journal Article
Kim, Y. C.; Hummer, G.: Proton-pumping mechanism of cytochrome c oxidase: a kinetic master-equation approach. Biochimica et Biophysica Acta: BBA 1817 (4), pp. 526 - 536 (2012)
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156.
Journal Article
Wikström, M.; Hummer, G.: Stoichiometry of proton translocation by respiratory complex I and its mechanistic implications. Proceedings of the National Academy of Sciences of the United States of America 109 (12), pp. 4431 - 4436 (2012)
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157.
Journal Article
Zhu, F.; Hummer, G.: Convergence and error estimation in free energy calculations using the weighted histogram analysis method. Journal of Computational Chemistry 33 (4), pp. 453 - 465 (2012)
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158.
Journal Article
Francis, D. M.; Różycki, B.; Koveal, D.; Hummer, G.; Page, R.; Peti, W.: Structural basis of p38α regulation by hematopoietic tyrosine phosphatase. Nature Chemical Biology 7 (12), pp. 916 - 924 (2011)
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159.
Journal Article
Francis, D. M.; Różycki, B.; Tortajada, A.; Hummer, G.; Peti, W.; Page, R.: Resting and active states of the ERK2:HePTP complex. Journal of the American Chemical Society 133 (43), pp. 17138 - 17141 (2011)
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160.
Journal Article
Kaila, V. R. I.; Hummer, G.: Energetics of direct and water-mediated proton-coupled electron transfer. Journal of the American Chemical Society 133 (47), pp. 19040 - 19043 (2011)
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161.
Journal Article
Best, R. B.; Hummer, G.: Diffusion models of protein folding. Physical Chemistry Chemical Physics 13 (38), pp. 16902 - 16911 (2011)
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162.
Journal Article
Köfinger, J.; Hummer, G.; Dellago, C.: Single-file water in nanopores. Physical Chemistry Chemical Physics 13 (34), pp. 15403 - 15417 (2011)
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163.
Journal Article
Kaila, V. R. I.; Hummer, G.: Energetics and dynamics of proton transfer reactions along short water wires. Physical Chemistry Chemical Physics 13 (29), pp. 13207 - 13215 (2011)
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164.
Journal Article
Boura, E.; Rózycki, B.; Herrick, D. Z.; Chung, H. S.; Vecer, J.; Eaton, W. A.; Cafiso, D. S.; Hummer, G.; Hurley, J. H.: Solution structure of the ESCRT-I complex by small-angle X-ray scattering, EPR, and FRET spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 108 (23), pp. 9437 - 9442 (2011)
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165.
Journal Article
Rosta, E.; Nowotny, M.; Yang, W.; Hummer, G.: Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations. Journal of the American Chemical Society 133 (23), pp. 8934 - 8941 (2011)
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166.
Journal Article
Różycki, B.; Kim, Y. C.; Hummer, G.: SAXS ensemble refinement of ESCRT-III CHMP3 conformational transitions. Structure 19 (1), pp. 109 - 116 (2011)
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167.
Journal Article
Johnson, M. E.; Hummer, G.: Nonspecific binding limits the number of proteins in a cell and shapes their interaction networks. Proceedings of the National Academy of Sciences of the United States of America 108 (2), pp. 603 - 608 (2011)
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168.
Journal Article
Leonard, T. A.; Różycki, B.; Saidi, L. F.; Hummer, G.; Hurley, J. H.: Crystal structure and allosteric activation of protein kinase C βII. Cell 144 (1), pp. 55 - 66 (2011)
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169.
Journal Article
Yin, H.; Feng, G.; Clore, G. M.; Hummer, G.; Rasaiah, J. C.: Water in the polar and nonpolar cavities of the protein interleukin-1β. The Journal of Physical Chemistry B 114 (49), pp. 16290 - 16297 (2010)
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170.
Journal Article
Hummer, G.; Szabo, A.: Free energy profiles from single-molecule pulling experiments. Proceedings of the National Academy of Sciences of the United States of America 107 (50), pp. 21441 - 21446 (2010)
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171.
Journal Article
Zhu, F.; Hummer, G.: Pore opening and closing of a pentameric ligand-gated ion channel. Proceedings of the National Academy of Sciences of the United States of America 107 (46), pp. 19814 - 19819 (2010)
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172.
Journal Article
Hummer, G.: Under water's influence. Nature Chemistry 2 (11), pp. 906 - 907 (2010)
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173.
Journal Article
Kalra, A.; Garde, S.; Hummer, G.: Lubrication by molecularly thin water films confined between nanostructured membranes. The European Physical Journal Special Topics 189 (1), pp. 147 - 154 (2010)
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Full
174.
Journal Article
Hummer, G.: Catching a protein in the act. Proceedings of the National Academy of Sciences of the United States of America 107 (6), pp. 2381 - 2382 (2010)
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175.
Journal Article
Rosta, E.; Hummer, G.: Error and efficiency of simulated tempering simulations. The Journal of Chemical Physics 132 (3), 034102 (2010)
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176.
Journal Article
Best, R. B.; Hummer, G.: Coordinate-dependent diffusion in protein folding. Proceedings of the National Academy of Sciences of the United States of America 107 (3), pp. 1088 - 1093 (2010)
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177.
Journal Article
Mittal, J.; Hummer, G.: Interfacial thermodynamics of confined water near molecularly rough surfaces. Faraday Discussions 146, pp. 341 - 352 (2010)
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178.
Journal Article
Kim, Y. C.; Furchtgott, L. A.; Hummer, G.: Biological proton pumping in an oscillating electric field. Physical Review Letters 103 (26), 268102 (2009)
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179.
Journal Article
Zhu, F.; Hummer, G.: Gating transition of pentameric ligand-gated ion channels. Biophysical Journal (Annual Meeting Abstracts) 97 (9), pp. 2456 - 2463 (2009)
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180.
Journal Article
Rosta, E.; Hummer, G.: Error and efficiency of replica exchange molecular dynamics simulations. The Journal of Chemical Physics 131 (16), 165102 (2009)
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181.
Journal Article
Frewen, T. A.; Hummer, G.; Kevrekidis, I. G.: Exploration of effective potential landscapes using coarse reverse integration. The Journal of Chemical Physics 131 (13), 134104 (2009)
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182.
Journal Article
Kaila, V. R. I.; Verkhovsky, M. I.; Hummer, G.; Wikström, M.: Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidase. Biochimica et Biophysica Acta (BBA) - General Subjects 1787 (10), pp. 1205 - 1214 (2009)
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183.
Journal Article
Rosta, E.; Woodcock, H. L.; Brooks, B. R.; Hummer, G.: Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase H. Journal of Computational Chemistry 30 (11), pp. 1634 - 1641 (2009)
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184.
Journal Article
Kim, Y. C.; Wikström, M.; Hummer, G.: Kinetic gating of the proton pump in cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America 106 (33), pp. 13707 - 13712 (2009)
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185.
Journal Article
Best, R. B.; Hummer, G.: Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides. The Journal of Physical Chemistry B 113 (26), pp. 9004 - 9015 (2009)
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186.
Journal Article
Berezhkovskii, A.; Hummer, G.; Szabo, A.: Reactive flux and folding pathways in network models of coarse-grained protein dynamics. The Journal of Chemical Physics 130 (20), 205102 (2009)
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187.
Journal Article
Turjanski, A. G.; Hummer, G.; Gutkind, J. S.: How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study. Journal of the American Chemical Society 131 (17), pp. 6141 - 6148 (2009)
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188.
Journal Article
Köfinger, J.; Hummer, G.; Dellago, C.: A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics 130 (15), 154110 (2009)
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189.
Journal Article
Ren, X.; Kloer, D. P.; Kim, Y. C.; Ghirlando, R.; Saidi, L. F.; Hummer, G.; Hurley, J. H.: Hybrid structural model of the complete human ESCRT-0 complex. Structure 17 (3), pp. 406 - 416 (2009)
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190.
Journal Article
Best, R. B.; Hummer, G.: Unfolding the secrets of calmodulin. Science 323 (5914), pp. 593 - 594 (2009)
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191.
Journal Article
Rosta, E.; Buchete, N.-V.; Hummer, G.: Thermostat artifacts in replica exchange molecular dynamics simulations. Journal of Chemical Theory and Computation 5 (5), pp. 1393 - 1399 (2009)
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192.
Journal Article
Mittal, J.; Hummer, G.: Static and dynamic correlations in water at hydrophobic interfaces. Proceedings of the National Academy of Sciences of the United States of America 105 (51), pp. 20130 - 20135 (2008)
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193.
Journal Article
Dudko, O. K.; Hummer, G.; Szabo, A.: Theory, analysis, and interpretation of single-molecule force spectroscopy experiments. Proceedings of the National Academy of Sciences of the United States of America 105 (41), pp. 15755 - 15760 (2008)
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194.
Journal Article
Köfinger, J.; Hummer, G.; Dellago, C.: Macroscopically ordered water in nanopores. Proceedings of the National Academy of Sciences of the United States of America 105 (36), pp. 13218 - 13222 (2008)
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195.
Journal Article
Kim, Y. C.; Tang, C.; Clore, G. M.; Hummer, G.: Replica exchange simulations of transient encounter complexes in protein-protein association. Proceedings of the National Academy of Sciences of the United States of America 105 (35), pp. 12855 - 12860 (2008)
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196.
Journal Article
Tikhonova, I. G.; Best, R. B.; Engel, S.; Gershengorn, M. C.; Hummer, G.; Costanzi, S.: Atomistic insights into rhodopsin activation from a dynamic model. Journal of the American Chemical Society 130 (31), pp. 10141 - 10149 (2008)
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197.
Journal Article
Kaila, V. R. I.; Verkhovsky, M.; Hummer, G.; Wikström, M.: Prevention of leak in the proton pump of cytochrome c oxidase. Biochimica et Biophysica Acta (BBA) - General Subjects 1777 (7-8), pp. 890 - 892 (2008)
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198.
Journal Article
Best, R. B.; Buchete, N.-V.; Hummer, G.: Are current molecular dynamics force fields too helical? Biophysical Journal 95 (1), pp. L07 - L09 (2008)
MPG.PuRe
DOI
199.
Journal Article
Eaton, W. A.; Hummer, G.; Zwanzig, R. W.: A tribute to Attila Szabo. The Journal of Physical Chemistry B 112 (19), pp. 5881 - 5882 (2008)
MPG.PuRe
DOI
200.
Journal Article
Best, R. B.; Paci, E.; Hummer, G.; Dudko, O. K.: Pulling direction as a reaction coordinate for the mechanical unfolding of single molecules. The Journal of Physical Chemistry B 112 (19), pp. 5968 - 5976 (2008)
MPG.PuRe
DOI
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