Publications Gerhard Hummer

Journal Article (13)

2005
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
Peter, C.; Hummer, G.: Ion Transport through Membrane-Spanning Nanopores Studiedby Molecular Dynamics Simulations and ContinuumElectrostatics Calculations. Biophysical Journal 89, pp. 2222 - 2234 (2005)
Journal Article
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)
Journal Article
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)
Journal Article
Hummer, G.; Szabo, A.: Free energy surfaces from single-molecule force spectroscopy. Accounts of Chemical Research 38 (7), pp. 504 - 513 (2005)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)

Book Chapter (1)

2005
Book Chapter
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)

Conference Paper (1)

2005
Conference Paper
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)
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