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The Journal of Physical Chemistry. B|February 1, 2018
Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics SimulationsMax Linke, Jürgen Köfinger, Gerhard Hummer
Faraday Discussions|July 6, 2018
Molecular dynamics simulations of carbon nanotube porins in lipid bilayersMartin Vögele, Jürgen Köfinger, Gerhard Hummer
The Journal of Chemical Physics|April 25, 2009
A one-dimensional dipole lattice model for water in narrow nanoporesJürgen Köfinger, Gerhard Hummer, Christoph Dellago
Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Inferring Structural Ensembles of Flexible and Dynamic Macromolecules Using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement MethodsJürgen Köfinger, Bartosz Różycki, Gerhard Hummer
Journal of the American Chemical Society|February 7, 2014
Calcium inhibition of ribonuclease H1 two-metal ion catalysisEdina Rosta, Wei Yang, Gerhard Hummer
Journal of Chemical Theory and Computation|February 17, 2023
Optimal Bond Constraint Topology for Molecular Dynamics Simulations of CholesterolBalázs Fábián, Sebastian Thallmair, Gerhard Hummer
Proceedings of the National Academy of Sciences of the United States of America|November 6, 2015
On artifacts in single-molecule force spectroscopyPilar Cossio, Gerhard Hummer, Attila Szabo
Journal of Chemical Theory and Computation|November 8, 2024
Refined Protein-Sugar Interactions in the Martini Force FieldMaziar Heidari, Mateusz Sikora, Gerhard Hummer
Journal of Chemical Theory and Computation|November 30, 2023
Neighbor List Artifacts in Molecular Dynamics SimulationsHyuntae Kim, Balázs Fábián, Gerhard Hummer
Proceedings of the National Academy of Sciences of the United States of America|July 25, 2003
Osmotic water transport through carbon nanotube membranesAmrit Kalra, Shekhar Garde, Gerhard Hummer
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