Hydrodynamics of Diffusion in Lipid Membrane Simulations von Vögele, Martin, Köfinger, Jürgen, Hummer, Gerhard

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Bayesian ensemble refinement by replica simulations and reweighting von Hummer, Gerhard, Köfinger, Jürgen

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Encoding prior knowledge in ensemble refinement von Köfinger, Jürgen, Hummer, Gerhard

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Rotational Diffusion Depends on Box Size in Molecular Dynamics Simulations von Linke, Max, Köfinger, Jürgen, Hummer, Gerhard

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TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes von Siggel, Marc, Kehl, Sebastian, Reuter, Klaus, Köfinger, Jürgen, Hummer, Gerhard

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CADISHI: Fast parallel calculation of particle-pair distance histograms on CPUs and GPUs von Reuter, Klaus, Köfinger, Jürgen

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Quantifying Protein-Protein Interactions in Molecular Simulations von Jost Lopez, Alfredo, Quoika, Patrick K, Linke, Max, Hummer, Gerhard, Köfinger, Jürgen

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Inferring Structural Ensembles of Flexible and Dynamic Macromolecules Using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods von Köfinger, Jürgen, Różycki, Bartosz, Hummer, Gerhard

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MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations von Gecht, Michael, Siggel, Marc, Linke, Max, Hummer, Gerhard, Köfinger, Jürgen

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Molecular dynamics simulations of carbon nanotube porins in lipid bilayers von Vögele, Martin, Köfinger, Jürgen, Hummer, Gerhard

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Single-file water in nanopores von KÖFINGER, Jürgen, HUMMER, Gerhard, DELLAGO, Christoph

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Efficient Ensemble Refinement by Reweighting von Köfinger, Jürgen, Stelzl, Lukas S, Reuter, Klaus, Allande, César, Reichel, Katrin, Hummer, Gerhard

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Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations von Vögele, Martin, Köfinger, Jürgen, Hummer, Gerhard

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Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations von Linke, Max, Köfinger, Jürgen, Hummer, Gerhard

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Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation von Barends, Thomas R. M., Foucar, Lutz, Ardevol, Albert, Nass, Karol, Aquila, Andrew, Botha, Sabine, Doak, R. Bruce, Falahati, Konstantin, Hartmann, Elisabeth, Hilpert, Mario, Heinz, Marcel, Hoffmann, Matthias C., Köfinger, Jürgen, Koglin, Jason E., Kovacsova, Gabriela, Liang, Mengning, Milathianaki, Despina, Lemke, Henrik T., Reinstein, Jochen, Roome, Christopher M., Shoeman, Robert L., Williams, Garth J., Burghardt, Irene, Hummer, Gerhard, Boutet, Sébastien, Schlichting, Ilme

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Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models von Linker, Stephanie Maria, Magarkar, Aniket, Köfinger, Jürgen, Hummer, Gerhard, Seeliger, Daniel

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SAXS/WAXS Intensities and Pair-Distance Distribution Functions from Molecular Dynamics Simulations von Koefinger, Juergen, Hummer, Gerhard

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Macroscopically ordered water in nanopores von Köfinger, Jürgen, Hummer, Gerhard, Dellago, Christoph

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Precision DEER Distances from Spin-Label Ensemble Refinement von Reichel, Katrin, Stelzl, Lukas S, Köfinger, Jürgen, Hummer, Gerhard

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From integrative atomic-resolution ensembles of disordered proteins to simulations of phase-separated condensates von Stelzl, Lukas S., Pietrek, Lisa M., Ping, Xiaofei, Holla, Andrea, Sikora, Mateusz, Koefinger, Juergen, Dormann, Dorothee, Schuler, Benjamin, Zweckstetter, Markus, Hummer, Gerhard

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