Publications of Gerhard Hummer

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)