Publications of Gerhard Hummer

Hummer, G.: Fast-growth thermodynamic integration: Error and efficiency analysis. The Journal of Chemical Physics 114 (17), pp. 7330 - 7337 (2001)

Hummer, G.; Szabo, A.: Free energy reconstruction from nonequilibrium single-molecule pulling experiments. Proceedings of the National Academy of Sciences of the United States of America 98 (7), pp. 3658 - 3661 (2001)

Hummer, G.; García, A. E.; Garde, S.: Helix nucleation kinetics from molecular simulations in explicit solvent. Proteins: Structure, Function, and Genetics 42 (1), pp. 77 - 84 (2001)

Hummer, G.; García, A. E.; Garde, S.: Conformational diffusion and helix formation kinetics. Physical Review Letters 85 (12), pp. 2637 - 2640 (2000)

Hummer, G.; Garde, S.; Garcı́a, A. E.; Pratt, L. R.: New perspectives on hydrophobic effects. Chemical Physics 258 (2), pp. 349 - 370 (2000)

Backgren, C.; Hummer, G.; Wikström, M.; Puustinen, A.: Proton translocation by cytochrome c oxidase can take place without the conserved glutamic acid in subunit I. Biochemistry 39 (27), pp. 7863 - 7867 (2000)

García, A. E.; Hummer, G.: Water penetration and escape in proteins. Proteins: Structure, Function, and Genetics 38 (3), pp. 261 - 272 (2000)

Rempe, S. B.; Pratt, L. R.; Hummer, G.; Kress, J. D.; Martin, R. L.; Redondo, A.: The Hydration Number of Li⁺ in Liquid Water. Journal of the American Chemical Society 122 (5), pp. 966 - 967 (2000)

Garde, S.; Khare, R.; Hummer, G.: Microscopic density fluctuations and solvation in polymeric fluids. The Journal of Chemical Physics 112 (3), pp. 1574 - 1578 (2000)

Ashbaugh, H. S.; Garde, S.; Hummer, G.; Kaler, E. W.; Paulaitis, M. E.: Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes. Biophysical Journal (Annual Meeting Abstracts) 77 (2), pp. 645 - 654 (1999)

García, A. E.; Hummer, G.: Conformational dynamics of cytochrome c: Correlation to hydrogen exchange. Proteins: Structure, Function, and Genetics 36 (2), pp. 175 - 191 (1999)

Hummer, G.: Hydrophobic Force Field as a Molecular Alternative to Surface-Area Models. Journal of the American Chemical Society 121 (26), pp. 6299 - 6305 (1999)

Gomez, M. A.; Pratt, L. R.; Hummer, G.; Garde, S.: Molecular realism in default models for information theories of hydrophobic effects. The Journal of Physical Chemistry B 103 (18), pp. 3520 - 3523 (1999)

Garde, S.; Garcı́a, A. E.; Pratt, L. R.; Hummer, G.: Temperature dependence of the solubility of non-polar gases in water. Biophysical Chemistry 78 (1), pp. 21 - 32 (1999)

Hummer, G.; Garde, S.; Garcia, A. E.; Paulaitis, M. E.; Pratt, L. R.: Hydrophobic Effects on a Molecular Scale. The Journal of Physical Chemistry B 102, pp. 10469 - 10489 (1998)

Hummer, G.; Pratt, L. R.; García, A. E.: Molecular Theories and Simulation of Ions and Polar Molecules in Water. The Journal of Physical Chemistry A 102 (41), pp. 7885 - 7895 (1998)

Hummer, G.; Grønbech-Jensen, N.; Neumann, M.: Pressure calculation in polar and charged systems using Ewald summation: Results for the extended simple point charge model of water. The Journal of Chemical Physics 109 (7), pp. 2791 - 2797 (1998)

Pomès, R.; Hummer, G.; Wikström, M.: Structure and dynamics of a proton shuttle in cytochrome c oxidase. Biochimica et Biophysica Acta, Bioenergetics 1365 (1), pp. 255 - 260 (1998)

Hummer, G.; Garde, S.: Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water. Physical Review Letters 80 (19), pp. 4193 - 4196 (1998)

Hummer, G.; Garde, S.; García, A. E.; Paulaitis, M. E.; Pratt, L. R.: The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins. Proceedings of the National Academy of Sciences of the United States of America 95 (4), pp. 1552 - 1555 (1998)