Publications of C. Kutzner

Páll, S.; Abraham, M. J.; Kutzner, C.; Hess, B.; Lindahl, E.: Tackling exascale software challenges in molecular dynamics simulations with GROMACS. In: Solving Software Challenges for Exascale: International Conference on Exascale Applications and Software, EASC 2014, Stockholm, Sweden, April 2-3, 2014, Revised Selected Papers, pp. 3 - 27 (Eds. Markidis, S.; Laure, E.). Springer, Cham (2015)

Kutzner, C.; Apostolov, R.; Hess, B.; Grubmüller, H.: Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC. In: Parallel Computing: Accelerating Computational Science and Engineering (CSE), pp. 722 - 730 (Eds. Bader, M.; Bode, A.; Bungartz, H. J.). IOS Press, Amsterdam (2014)

Kutzner, C.; van der Spoel, D.; Fechner, M.; Lindahl, E.; Schmitt, U. W.; de Groot, B. L.; Grubmueller, H.: Improved GROMACS scaling on ethernet switched clusters. In: Recent advances in parallel virtual machine and message passing interface. 13th European PVM/MPI User`s Group meeting, Bonn, Germany, September 17-20, 2006, pp. 404 - 405 (Eds. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)

Igaev, M.; Kutzner, C.; Bock, L. V.; Vaiana, A. C.; Grubmüller, H.: Automated cryo-EM structure refinement using correlation -driven molecular dynamics. Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP), Madrid, Spain, July 20, 2019 - July 24, 2019. European Biophysics Journal 48 (Suppl 1), p. S126 - S126 (2019)

Briones, R.; Blau, C.; Kutzner, C.; de Groot, B. L.; Aponte-Santamaria, C.: Gromaps: A Gromacs-based toolset to analyse density maps derived from molecular dynamics simulations. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), pp. 142A - 143A (2019)

Vaiana, A. C.; Igaev, M.; Kutzner, C.; Grubmüller, H.: Fully automated correlation-based refinement of atomic models into high resolution cryo-EM density maps. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal 114 (3), p. 161a - 161a (2018)

Kohnke, B.; Ullmann, R. T.; Kutzner, C.; Beckmann, A.; Haensel, D.; Kabadshow, I.; Dachsel, H.; Hess, B.; Grubmüller, H.: A flexible, GPU - powered fast multipole method for realistic biomolecular simulations in Gromacs. 58th Annual Meeting of the Biophysical-Society, San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 112 (Suppl 1), p. 448a - 448a (2017)

Kutzner, C.; Ullmann, R. T.; de Groot, B. L.; Zachariae, U.; Grubmüller, H.: Ions in action - Studying ion channels by computational electrophysiology in GROMACS. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., p. 139a - 139a (2017)

Ullmann, R. T.; Kutzner, C.; Beckmann, A.; Kohnke, B.; Haensel, D.; Kabadshow, I.; Dachsel, H.; Hess, B.; Grubmüller, H.: Gromex: Electrostatics with chemical variability for realistic molecular simulations on the exascale. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., pp. 176a - 177a (2017)

Blau, C.; Lenner, N.; Kutzner, C.; Grubmüller, H.; Lindahl, E.: From CRYO-EM densities to atom coordinates and ensembles with Bayes approach. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., pp. 156A - 157A (2016)

Blau, C.; Bock, L.; Kutzner, C.; Vaiana, A.; Grubmüller, H.: Bayesian cryo-EM refinement. 59th Annual Meeting of the Biophysical-Society, Baltimore/MD, February 07, 2015 - February 11, 2015. Biohysical Journal 108 (Suppl. 1), p. 470a - 470a (2015)

Vaiana, A. C.; Kutzner, C.; Bock, L. V.; Blau, C.; Grubmüller, H.: Structural determinants of hybrid state intermediates of the bacterial ribosome. 59th Annual Meeting of the Biophysical-Society, Baltimore, February 07, 2015 - February 11, 2015. Biophysical Journal 108 (Supplement 1), p. 318a - 318a (2015)

Vaiana, A. C.; Kutzner, C.; Bock, L. V.; Blau, C.; Grubmüller, H.: Refining crystal structures against Cryo-EM data using molecular dynamics simulations to obtain a complete atomistic pathway of transfer RNA translocation. 58th Annual Meeting of the Biophysical-Society, San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 106 (Supplement 1), 2 Ed., p. 240a - 240a (2014)