Publications of Gerhard Hummer

Hummer, G.: Electrostatic potential of a homogeneously charged square and cube in two and three dimensions. Journal of Electrostatics 36 (3), pp. 285 - 291 (1996)

Hummer, G.; E. García, A.; Soumpasis, D. M.: A statistical mechanical description of biomolecular hydration. Faraday Discussions 103, pp. 175 - 189 (1996)

Hummer, G.; Pratt, L. R.; García, A. E.: Free Energy of Ionic Hydration. The Journal of Physical Chemistry 100 (4), pp. 1206 - 1215 (1996)

Hummer, G.; García, A. E.; Soumpasis, D. M.: Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes. Biophysical Journal 68 (5), pp. 1639 - 1652 (1995)

Hummer, G.: The numerical accuracy of truncated Ewald sums for periodic systems with long-range Coulomb interactions. Chemical Physics Letters 235 (3), pp. 297 - 302 (1995)

Hummer, G.; Pratt, L. R.; Garcia, A. E.: Hydration free energy of water. The Journal of Physical Chemistry 99 (38), pp. 14188 - 14194 (1995)

Hummer, G.; Soumpasis, D. M.: Statistical mechanical treatment of the structural hydration of biological macromolecules: Results for B-DNA. Physical Review E 50 (6), pp. 5085 - 5095 (1994)

Pratt, L. R.; Hummer, G.; Garcia´, A. E.: Ion pair potentials-of-mean-force in water. Biophysical Chemistry 51 (2), pp. 147 - 165 (1994)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Computer simulation of aqueous Na-Cl electrolytes. Journal of Physics: Condensed Matter 6 (23A), pp. A141 - A144 (1994)

Tung, C.-S.; Soumpasis, D. M.; Hummer, G.: An Extension of the Rigorous Base-unit Oriented Description of Nucleic Acid Structures. Journal of Biomolecular Structure and Dynamics 11 (6), pp. 1327 - 1344 (1994)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Computer simulations do not support Cl-Cl pairing in aqueous NaCl solution. Molecular Physics 81 (5), pp. 1155 - 1163 (1994)

Hummer, G.; Soumpasis, D. M.: Computation of the water density distribution at the ice-water interface using the potentials-of-mean-force expansion. Physical Review E 49 (1), pp. 591 - 596 (1994)

Höfers, C.; Jovin, T. M.; Hummer, G.; Arndt-Jovin, D. J.: The localization of chromosome domains in human interphase nuclei. Semi-automated two-dimensional image acquisition and analysis of fluorescence in situ hybridization signals. Bioimaging 1 (2), pp. 107 - 118 (1993)

Höfers, C.; Baumann, P.; Hummer, G.; Jovin, T. M.; Arndt-Jovin, D. J.: The localization of chromosome domains in human interphase nuclei. Three-dimensional distance determinations of fluorescence in situ hybridization signals from confocal laser scanning microscopy. Bioimaging 1 (2), pp. 96 - 106 (1993)

Hummer, G.; Soumpasis, D. M.: Correlations and free energies in restricted primitive model descriptions of electrolytes. The Journal of Chemical Physics 98 (1), pp. 581 - 591 (1993)

Hummer, G.; Soumpasis, D. M.; Neumann, M.: Pair correlations in an NaCl-SPC water model: Simulations versus extended RISM computations. Molecular Physics 77 (4), pp. 769 - 785 (1992)

Hummer, G.; Soumpasis, D. M.: An extended RISM study of simple electrolytes: pair correlations in a NaCl-SPC water model. Molecular Phylogenetics and Evolution 75 (3), pp. 633 - 651 (1992)

Köfinger, J.; Rózycki, B.; Hummer, G.: Inferring Structural Ensembles of Flexible and Dynamic Macromolecules Using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods. In: Methods in Molecular Biology, Vol. 2022, pp. 341 - 352. Springer (2019)

Hummer, G.: Non-equilibrium molecular dynamics for biomolecular systems using fluctuation theorems. In: Hierarchical Methods for Dynamics in Complex Molecular Systems: IAS Winter School, 5 – 9 March 2012 Forschungszentrum Jülich GmbH Lecture Notes, pp. 269 - 279 (Ed. Grotendorst, J.). Forschungszentrum Jülich, Jülich (2012)

Hummer, G.; Szabo, A.: Thermodynamics and kinetics of single-molecule force spectroscopy. In: Theory and Evaluation of Single-molecule Signals, pp. 139 - 178 (Eds. Barkai, E.; Brown, F.; Orrit, M.; Yang, H.). World Scientific, New Jersey (2008)

Rasaiah, J. C.; Garde, S.; Hummer, G.: Water in nonpolar confinement: from nanotubes to proteins and beyond. In: Annual Review of Physical Chemistry, Vol. 59, pp. 713 - 740. Annual Reviews., Palo Alto, Calif. [etc.] (2008)

Hummer, G.: Nonequilibrium Methods for Equilibrium Free Energy Calculations. In: Free Energy Calculations: Theory and Applications in Chemistry and Biology, pp. 171 - 198 (Eds. Chipot, C.; Pohorille, A.). Springer, Berlin, Heidelberg (2007)

Kevrekidis, I. G.; Gear, C. W.; Hummer, G.: Equation-Free Modeling For Complex Systems. In: Handbook of Materials Modeling: Methods, pp. 1453 - 1475 (Ed. Yip, S.). Springer Netherlands, Dordrecht (2005)

Garcia, C. A.; Hummer, G.; Soumpasis, D. M.: Theoretical and Computational Methods of Biomolecular Hydration. In: Water in Biomaterials Surface Science, pp. 25 - 52 (Ed. Morra, M.) (2001)

Pratt, L. R.; Garde, S.; Hummer, G.: Theories of Hydrophobic Effects and the Description of Free Volume in Complex Liquids. In: New Approaches to Problems in Liquid State Theory: Inhomogeneities and Phase Separation in Simple, Complex and Quantum Fluids, pp. 407 - 420 (Eds. Caccamo, C.; Hansen, J.-P.; Stell, G.). Springer Netherlands, Dordrecht (1999)

Wikström, M.; Morgan, J. E.; Hummer, G.; Woodruff, W. H.; Verkhovsky, M. I.: Oxygen Reduction and Proton Translocation by the Heme-Copper Oxidases. In: Frontiers of Cellular Bioenergetics: Molecular Biology, Biochemistry, and Physiopathology, Vol. 2, pp. 193 - 217 (Eds. Papa, S.; Guerrieri, F.; Tager, J. M.). Springer, New York (1999)

García, A. E.; Hummer, G.; Soumpasis, D. M.: Theoretical Description of Biomolecular Hydration. In: Neutrons in Biology, Vol. 64, pp. 299 - 308 (Eds. Schoenborn, B. P.; Knott, R. B.). Springer, Boston, MA (1996)

Hummer, G.; Soumpasis, D. M.; García, A. E.: Potential-of-mean-force description of ionic interactions and structural hydration in biomolecular systems. In: Nonlinear Excitations in Biomolecules, pp. 83 - 99 (Ed. Peyrard, M.). Springer, Berlin (1995)

Pratt, L. R.; Hummer, G. (Eds.): Simulation and theory of electrostatic interactions in solution: computational chemistry, biophysics, and aqueous solutions. AIP Conference Proceedings; 492, Sante Fe, New Mexico (USA, June 23, 1999 - June 25, 1999. American Institute of Physics, Melville (1999), 534 pp.

Frauenfelder, H.; Hummer, G.; Garcia, R. (Eds.): Biological physics: third international symposium. AIP Conference Proceedings; 487, Sante Fe, New Mexico (USA, 1999-09. American Institute of Physics, Melville (1999), 290 pp.

Karathanasis, C.; Baldering, T. N.; Boeger, C.; Harwardt, M.-L. I. E.; Li, Y.; Schroeder, M. S.; Deussner-Helfmann, N. S.; Glaesmann, M.; Malkusch, S.; Dietz, M. S. et al.; Hafner, A.-S.; Schuman, E.; Hummer, G.; Heilemann, M.: Quantitative single-molecule localization microscopy reports on protein numbers in signaling protein complexes. In: Proceedings of SPIE: Single molecule spectroscopy and superresolution imaging XIII, Vol. 11246, UNSP 112460N (Eds. Gregor, I.; Koberling, F.; Erdmann, R.). SPIE BIOS, San Francisco, Carlifornia, United States, February 01, 2020 - February 02, 2020. Spie-Int Soc Optical Engineering, Bellingham (2020)

Krüger, C.; Fricke, F.; Karathanasis, C.; Dietz, M. S.; Malkusch, S.; Hummer, G.; Heilemann, M.: Molecular counting of membrane receptor subunits with single-molecule localization microscopy. In: Proceedings SPIE 10071, Single Molecule Spectroscopy and Superresolution Imaging X, Vol. 10071, 100710K. SPIE BiOS, 2017, San Francisco, California, United States, January 28, 2017 - February 02, 2017. (2017)

Hummer, G.: Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes. In: Nanofabrication: Technologies, Devices, and Applications, Vol. 5592, pp. 214 - 219. International Society for Optics and Photonics (2005)

Pratt, L. R.; Tawa, G. J.; Hummer, G.; Garcia, A. E.; Corcelli, S. A.: Hydrophobic & hydrophilic: Theoretical models of solvation for molecular biophysics. In: 2. International Congress on Theoretical Chemical Physics, New Orleans, LA (United States), 9-13 Mar 1996. (1996)

Pratt, L.R.; Tawa, G.J.; Hummer, G.; Garcia, A.E.; Corcelli, S.A.: Hydrophobic ampersand hydrophilic: Theoretical models of solvation for molecular biophysics. In: Second international congress on theoretical chemical physics - ICTCP II; New Orleans, LA (United States); 9-13 Mar 1996. (1996)

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.

Garcia, A. E.; Hummer, G.: Theoretical studies of the interaction of water with DNA oligomers and proteins. Los Alamos National Laboratory, Los Alamos (1996)

Tung, C.-S.; Hummer, G.; Soumpasis, D. M.: Predicting B-DNA structure from sequence. Los Alamos National Lab. (LANL), Los Alamos, NM (United States) (1995), 9 pp.

Garcia, A. E.; Blumenfeld, R.; Hummer, G.; Sobehart, J.: Diffusion of a protein in configuration space. Los Alamos National Laboratory, Los Alalmos (1995), 29 pp.

Hummer, G.; Soumpasis, D. M.: A new approach to calculate the hydration of DNA molecules. Los Alamos National Laboratory, Los Alamos (1993), 20 pp.