
Suchergebnisse
Alle Typen
Zeitschriftenartikel (19)
2020
Zeitschriftenartikel
153 (14), 144105 (2020)
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations. The Journal of Chemical Physics
Zeitschriftenartikel
124 (23), S. 4673 - 4685 (2020)
Quantifying Protein-Protein Interactions in Molecular Simulations. The Journal of Physical Chemistry B 2019
Zeitschriftenartikel
15 (9), S. 4974 - 4981 (2019)
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation
Zeitschriftenartikel
123 (24), S. 5099 - 5106 (2019)
Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations. The Journal of Physical Chemistry B
Zeitschriftenartikel
15 (5), S. 3390 - 3409 (2019)
Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation
Zeitschriftenartikel
236, S. 274 - 284 (2019)
CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs. Computer Physics Communications 2018
Zeitschriftenartikel
9 (18), S. 5748 - 5752 (2018)
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
209, S. 341 - 358 (2018)
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions
Zeitschriftenartikel
120 (26), 268104 (2018)
Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters
Zeitschriftenartikel
9 (11), S. 2874 - 2878 (2018)
Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
122 (21), S. 5630 - 5639 (2018)
Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 2017
Zeitschriftenartikel
11 (2), S. 1273 - 1280 (2017)
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 2015
Zeitschriftenartikel
143 (24), S. 243150-1 - 243150-14 (2015)
Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics
Zeitschriftenartikel
350 (6259), S. 445 - 450 (2015)
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science
Zeitschriftenartikel
23 (5), S. 809 - 818 (2015)
Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 2013
Zeitschriftenartikel
87, 052712 (2013)
Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 2011
Zeitschriftenartikel
13 (34), S. 15403 - 15417 (2011)
Single-file water in nanopores. Physical Chemistry Chemical Physics 2009
Zeitschriftenartikel
130 (15), 154110 (2009)
A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics 2008
Zeitschriftenartikel
105 (36), S. 13218 - 13222 (2008)
Macroscopically ordered water in nanopores. Proceedings of the National Academy of Sciences of the United States of America Buchkapitel (1)
2019
Buchkapitel
2022, S. 341 - 352. Springer (2019)
Inferring Structural Ensembles of Flexible and Dynamic Macromolecules Using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods. In: Methods in Molecular Biology, Bd.