Publications of Gerhard Hummer

Zweckstetter, M.; Hummer, G.; Bax, A.: Prediction of charge-induced molecular alignment of biomolecules dissolved in dilute liquid-crystalline phases. Biophysical Journal (Annual Meeting Abstracts) 86 (6), pp. 3444 - 3460 (2004)

Yeh, I.-C.; Hummer, G.: Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations. Biophysical Journal (Annual Meeting Abstracts) 86 (2), pp. 681 - 689 (2004)

Hummer, G.: From transition paths to transition states and rate coefficients. The Journal of Chemical Physics 120 (2), pp. 516 - 523 (2004)

Kalra, A.; Hummer, G.; Garde, S.: Methane Partitioning and ransport in Hydrated Carbon Nanotubes. The Journal of Physical Chemistry B 108 (2), pp. 544 - 549 (2004)

Kalra, A.; Garde, S.; Hummer, G.: Osmotic water transport through carbon nanotube membranes. Proceedings of the National Academy of Sciences of the United States of America 100 (18), pp. 10175 - 10180 (2003)

Hummer, G.; Szabo, A.: Kinetics from nonequilibrium single-molecule pulling experiments. Biophysical Journal (Annual Meeting Abstracts) 85 (1), pp. 5 - 15 (2003)

Hummer, G.; Kevrekidis, I. G.: Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations. The Journal of Chemical Physics 118 (23), pp. 10762 - 10773 (2003)

Wikström, M.; Verkhovsky, M. I.; Hummer, G.: Water-gated mechanism of proton translocation by cytochrome c oxidase. Biochimica et Biophysica Acta: BBA 1604 (2), pp. 61 - 65 (2003)

Berezhkovskii, A.; Hummer, G.: Random Walk Model for Single‐File Transport of Water Molecules through Carbon Nanotubes. AIP Conference Proceedings 665 (1), pp. 267 - 272 (2003)

Taraphder, S.; Hummer, G.: Protein side-chain motion and hydration in proton-transfer pathways. Results for cytochrome p450cam. Journal of the American Chemical Society 125 (13), pp. 3931 - 3940 (2003)

Dellago, C.; Naor, M. M.; Hummer, G.: Proton transport through water-filled carbon nanotubes. Physical Review Letters 90 (10), 105902 (2003)

Taraphder, S.; Hummer, G.: Dynamic proton transfer pathways in proteins: role of sidechain conformational fluctuations. Physica A: Statistical and Theoretical Physics 318 (1), pp. 293 - 301 (2003)

Waghe, A.; Rasaiah, J. C.; Hummer, G.: Filling and emptying kinetics of carbon nanotubes in water. The Journal of Chemical Physics 117 (23), pp. 10789 - 10795 (2002)

Berezhkovskii, A.; Hummer, G.: Single-file transport of water molecules through a carbon nanotube. Physical Review Letters 89 (6), 064503 (2002)

Yeh, I.-C.; Hummer, G.: Peptide loop-closure kinetics from microsecond molecular dynamics simulations in explicit solvent. Journal of the American Chemical Society 124 (23), pp. 6563 - 6568 (2002)

Siebert, X.; Hummer, G.: Hydrophobicity maps of the N-peptide coiled coil of HIV-1 gp41. Biochemistry 41 (9), pp. 2956 - 2961 (2002)

Hummer, G.: Fast-growth Thermodynamic Integration∶ Results for Sodium Ion Hydration. Molecular Simulation 28 (1-2), pp. 81 - 90 (2002)

Hummer, G.; Rasaiah, J. C.; Noworyta, J. P.: Water conduction through the hydrophobic channel of a carbon nanotube. Nature 414 (6860), pp. 188 - 190 (2001)

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)