
Publications of Jürgen Köfinger
All genres
Journal Article (23)
1.
Journal Article
2 (3), pp. 673 - 686 (2022)
Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure. JACS Au 2.
Journal Article
94 (12), 245 (2021)
Empirical optimization of molecular simulation force fields by Bayesian inference. The European Physical Journal B: Condensend Matter Physics 3.
Journal Article
1 (12), pp. 2162 - 2171 (2021)
Solution Structure and Conformational Flexibility of a Polyketide Synthase Module. JACS Au 4.
Journal Article
118 (19), e2016974118 (2021)
Membrane fusion and drug delivery with carbon nanotube porins. Proceedings of the National Academy of Sciences of the United States of America 5.
Journal Article
153 (14), 144105 (2020)
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations. The Journal of Chemical Physics 6.
Journal Article
124 (23), pp. 4673 - 4685 (2020)
Quantifying Protein-Protein Interactions in Molecular Simulations. The Journal of Physical Chemistry B 7.
Journal Article
15 (9), pp. 4974 - 4981 (2019)
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation 8.
Journal Article
123 (24), pp. 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 9.
Journal Article
15 (5), pp. 3390 - 3409 (2019)
Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation 10.
Journal Article
236, pp. 274 - 284 (2019)
CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs. Computer Physics Communications 11.
Journal Article
9 (18), pp. 5748 - 5752 (2018)
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters 12.
Journal Article
209, pp. 341 - 358 (2018)
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions 13.
Journal Article
120 (26), 268104 (2018)
Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters 14.
Journal Article
9 (11), pp. 2874 - 2878 (2018)
Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 15.
Journal Article
122 (21), pp. 5630 - 5639 (2018)
Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 16.
Journal Article
11 (2), pp. 1273 - 1280 (2017)
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 17.
Journal Article
143 (24), pp. 243150-1 - 243150-14 (2015)
Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 18.
Journal Article
350 (6259), pp. 445 - 450 (2015)
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science 19.
Journal Article
23 (5), pp. 809 - 818 (2015)
Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 20.
Journal Article
87, 052712 (2013)
Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 21.
Journal Article
13 (34), pp. 15403 - 15417 (2011)
Single-file water in nanopores. Physical Chemistry Chemical Physics 22.
Journal Article
130 (15), 154110 (2009)
A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics 23.
Journal Article
105 (36), pp. 13218 - 13222 (2008)
Macroscopically ordered water in nanopores. Proceedings of the National Academy of Sciences of the United States of America Book Chapter (1)
24.
Book Chapter
2022, pp. 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, Vol.