Publications Gerhard Hummer

Journal Article (9)

1997
Journal Article
Grøbech-Jensen, N.; Hummer, G.; Beardmore, K. M.: Lekner summation of Coulomb interactions in partially periodic systems. Molecular Physics 92 (5), pp. 941 - 946 (1997)
Journal Article
Hummer, G.; Pratt, L. R.; García, A. E.: Ion sizes and finite-size corrections for ionic-solvation free energies. The Journal of Chemical Physics 107 (21), pp. 9275 - 9277 (1997)
Journal Article
García, A. E.; Blumenfeld, R.; Hummer, G.; Krumhansl, J. A.: Multi-basin dynamics of a protein in a crystal environment. Physica D: Nonlinear Phenomena 107 (2), pp. 225 - 239 (1997)
Journal Article
Hummer, G.; Pratt, L. R.; García, A. E.: Multistate Gaussian Model for Electrostatic Solvation Free Energies. Journal of the American Chemical Society 119 (36), pp. 8523 - 8527 (1997)
Journal Article
Riistama, S.; Hummer, G.; Puustinen, A.; Brian Dyer, R.; Woodruff, W. H.; Wikström, M.: Bound water in the proton translocation mechanism of the haem-copper oxidases. FEBS Letters 414 (2), pp. 275 - 280 (1997)
Journal Article
Hummer, G.; Pratt, L. R.; García, A. E.; Berne, B. J.; Rick, S. W.: Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules. The Journal of Physical Chemistry B 101 (16), pp. 3017 - 3020 (1997)
Journal Article
Oprea, T. I.; Hummer, G.; Garcia, A. E.: Identification of a functional water channel in cytochrome P450 enzymes. Proceedings of the National Academy of Sciences of the United States of America 94 (6), pp. 2133 - 2138 (1997)
Journal Article
García, A. E.; Hummer, G.; Soumpasis, D. M.: Hydration of an α-Helical peptide: comparison of theory and molecular dynamics simulation. Proteins: Structure, Function, and Bioinformatics 27 (4), pp. 471 - 480 (1997)
Journal Article
Pratt, L. R.; Tawa, G. J.; Hummer, G.; García, A. E.; Corcelli, S. A.: Boundary integral methods for the Poisson equation of continuum dielectric solvation models. International Journal of Quantum Chemistry 64 (1), pp. 121 - 141 (1997)

Report (1)

1997
Report
Pratt, L. R.; Garcia, A. E.; Hummer, G.; Berne, B. J.; Corcelli, S. A.; Garde, S.; Paulaitis, M. E.; Pohorille, A.; Rick, S. W.; Tawa, G. J.: Computer simulation of protein solvation, hydrophobic mapping, and the oxygen effect in radiation biology. Los Alamos National Laboratory, Los Alamos (1997), 22 pp.
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