Gerhard Hummer Publications

Best, R. B.; Chen, Y.-G.; Hummer, G.: Slow protein conformational dynamics from multiple experimental structures: the helix/sheet transition of arc repressor. Structure 13 (12), pp. 1755 - 1763 (2005)

Collins, M. D.; Hummer, G.; Quillin, M. L.; Matthews, B. W.; Gruner, S. M.: Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation. Proceedings of the National Academy of Sciences of the United States of America 102 (46), pp. 16668 - 16671 (2005)

Buchete, N.-V.; Tycko, R.; Hummer, G.: Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments. Journal of Molecular Biology (London) 353 (4), pp. 804 - 821 (2005)

Andreev, S.; Reichman, D.; Hummer, G.: Effect of flexibility on hydrophobic behavior of nanotube water channels. The Journal of Chemical Physics 123 (19), 194502 (2005)

Peter, C.; Hummer, G.: Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations. Biophysical Journal 89 (4), pp. 2222 - 2234 (2005)

Peter, C.; Hummer, G.: Ion Transport through Membrane-Spanning Nanopores Studiedby Molecular Dynamics Simulations and ContinuumElectrostatics Calculations. Biophysical Journal 89, pp. 2222 - 2234 (2005)

Sriraman, S.; Kevrekidis, I. G.; Hummer, G.: Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes. Physical Review Letters 95 (13), 130603 (2005)

Sriraman, S.; Kevrekidis, I. G.; Hummer, G.: Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes. Physical Review Letters 95 (13), 130603 (2005)

Hummer, G.; Szabo, A.: Free energy surfaces from single-molecule force spectroscopy. Accounts of Chemical Research 38 (7), pp. 504 - 513 (2005)

Best, R. B.; Hummer, G.: Reaction coordinates and rates from transition paths. Proceedings of the National Academy of Sciences of the United States of America 102 (19), pp. 6732 - 6737 (2005)

Gustchina, E.; Hummer, G.; Bewley, C. A.; Clore, G. M.: Differential inhibition of HIV-1 and SIV envelope-mediated cell fusion by C34 peptides derived from the C-terminal heptad repeat of gp41 from diverse strains of HIV-1, HIV-2, and SIV. Journal of Medicinal Chemistry 48 (8), pp. 3036 - 3044 (2005)

Sriraman, S.; Kevrekidis, I. G.; Hummer, G.: Coarse master equation from Bayesian analysis of replica molecular dynamics simulations. The Journal of Physical Chemistry B 109 (14), pp. 6479 - 6484 (2005)

Hummer, G.: Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations. New Journal of Physics 7, 34 (2005)

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)

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)