Publikationen von Jürgen Köfinger
Alle Typen
Zeitschriftenartikel (27)
1.
Zeitschriftenartikel
160, 114111 (2024)
Encoding prior knowledge in ensemble refinement. The Journal of Chemical Physics 2.
Zeitschriftenartikel
7 (2), S. 528 - 534 (2024)
Nanoporous Membranes of Densely Packed Carbon Nanotubes Formed by Lipid-Mediated Self-Assembly. ACS applied bio materials 3.
Zeitschriftenartikel
157 (20), 204802 (2022)
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions. The Journal of Chemical Physics 4.
Zeitschriftenartikel
157 (17), 174801 (2022)
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes. The Journal of Chemical Physics 5.
Zeitschriftenartikel
2 (3), S. 673 - 686 (2022)
Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure. JACS Au 6.
Zeitschriftenartikel
94 (12), 245 (2021)
Empirical optimization of molecular simulation force fields by Bayesian inference. The European Physical Journal B: Condensend Matter Physics 7.
Zeitschriftenartikel
1 (12), S. 2162 - 2171 (2021)
Solution Structure and Conformational Flexibility of a Polyketide Synthase Module. JACS Au 8.
Zeitschriftenartikel
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 9.
Zeitschriftenartikel
153 (14), 144105 (2020)
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations. The Journal of Chemical Physics 10.
Zeitschriftenartikel
124 (23), S. 4673 - 4685 (2020)
Quantifying Protein-Protein Interactions in Molecular Simulations. The Journal of Physical Chemistry B 11.
Zeitschriftenartikel
15 (9), S. 4974 - 4981 (2019)
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models. Journal of Chemical Theory and Computation 12.
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 13.
Zeitschriftenartikel
15 (5), S. 3390 - 3409 (2019)
Efficient Ensemble Refinement by Reweighting. Journal of Chemical Theory and Computation 14.
Zeitschriftenartikel
236, S. 274 - 284 (2019)
CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs. Computer Physics Communications 15.
Zeitschriftenartikel
9 (18), S. 5748 - 5752 (2018)
Precision DEER Distances from Spin-Label Ensemble Refinement. The Journal of Physical Chemistry Letters 16.
Zeitschriftenartikel
209, S. 341 - 358 (2018)
Molecular dynamics simulations of carbon nanotube porins in lipid bilayers. Faraday Discussions 17.
Zeitschriftenartikel
120 (26), 268104 (2018)
Hydrodynamics of Diffusion in Lipid Membrane Simulations. Physical Review Letters 18.
Zeitschriftenartikel
9 (11), S. 2874 - 2878 (2018)
Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 19.
Zeitschriftenartikel
122 (21), S. 5630 - 5639 (2018)
Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations. The Journal of Physical Chemistry B 20.
Zeitschriftenartikel
11 (2), S. 1273 - 1280 (2017)
Carbon Nanotubes Mediate Fusion of Lipid Vesicles. ACS Nano 21.
Zeitschriftenartikel
143 (24), S. 243150-1 - 243150-14 (2015)
Bayesian ensemble refinement by replica simulations and reweighting. The Journal of Chemical Physics 22.
Zeitschriftenartikel
350 (6259), S. 445 - 450 (2015)
Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science 23.
Zeitschriftenartikel
23 (5), S. 809 - 818 (2015)
Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site. Structure 24.
Zeitschriftenartikel
87, 052712 (2013)
Atomic-resolution structural information from scattering experiments on macromolecules in solution. Physical Review E 25.
Zeitschriftenartikel
13 (34), S. 15403 - 15417 (2011)
Single-file water in nanopores. Physical Chemistry Chemical Physics 26.
Zeitschriftenartikel
130 (15), 154110 (2009)
A one-dimensional dipole lattice model for water in narrow nanopores. The Journal of Chemical Physics 27.
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)
28.
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. Hochschulschrift - Habilitation (1)
29.
Hochschulschrift - Habilitation
Integration of experimental data and molecular simulations. Habilitation, 79 S., Fachbereich Physik, Johann Wolfgang Goethe-Universität Frankfurt, Frankfurt am Main (2022)