Gerhard Hummer Publications
Journal Article (13)
2005
Journal Article
13 (12), pp. 1755 - 1763 (2005)
Slow protein conformational dynamics from multiple experimental structures: the helix/sheet transition of arc repressor. Structure
Journal Article
102 (46), pp. 16668 - 16671 (2005)
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
Journal Article
353 (4), pp. 804 - 821 (2005)
Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments. Journal of Molecular Biology (London)
Journal Article
123 (19), 194502 (2005)
Effect of flexibility on hydrophobic behavior of nanotube water channels. The Journal of Chemical Physics
Journal Article
89 (4), pp. 2222 - 2234 (2005)
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations. Biophysical Journal
Journal Article
89, pp. 2222 - 2234 (2005)
Ion Transport through Membrane-Spanning Nanopores Studiedby Molecular Dynamics Simulations and ContinuumElectrostatics Calculations. Biophysical Journal
Journal Article
95 (13), 130603 (2005)
Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes. Physical Review Letters
Journal Article
95 (13), 130603 (2005)
Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes. Physical Review Letters
Journal Article
38 (7), pp. 504 - 513 (2005)
Free energy surfaces from single-molecule force spectroscopy. Accounts of Chemical Research
Journal Article
102 (19), pp. 6732 - 6737 (2005)
Reaction coordinates and rates from transition paths. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
48 (8), pp. 3036 - 3044 (2005)
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
Journal Article
109 (14), pp. 6479 - 6484 (2005)
Coarse master equation from Bayesian analysis of replica molecular dynamics simulations. The Journal of Physical Chemistry B
Journal Article
7, 34 (2005)
Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations. New Journal of Physics Book Chapter (1)
2005
Book Chapter
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
5592, pp. 214 - 219. International Society for Optics and Photonics (2005)
Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes. In: Nanofabrication: Technologies, Devices, and Applications, Vol.