| GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation B Hess, C Kutzner, D Van Der Spoel, E Lindahl Journal of chemical theory and computation 4 (3), 435-447, 2008 | 16578 | 2008 |
| Tackling exascale software challenges in molecular dynamics simulations with GROMACS S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl Solving Software Challenges for Exascale: International Conference on …, 2015 | 1036 | 2015 |
| Anatomy and dynamics of a supramolecular membrane protein cluster JJ Sieber, KI Willig, C Kutzner, C Gerding-Reimers, B Harke, G Donnert, ... Science 317 (5841), 1072-1076, 2007 | 515 | 2007 |
| More bang for your buck: Improved use of GPU nodes for GROMACS 2018 C Kutzner, S Páll, M Fechner, A Esztermann, BL de Groot, H Grubmüller Journal of computational chemistry 40 (27), 2418-2431, 2019 | 340 | 2019 |
| Best bang for your buck: GPU nodes for GROMACS biomolecular simulations C Kutzner, S Páll, M Fechner, A Esztermann, BL de Groot, H Grubmüller Journal of computational chemistry 36 (26), 1990-2008, 2015 | 257 | 2015 |
| From stable dipolar towards reversing numerical dynamos C Kutzner, UR Christensen Physics of the Earth and Planetary Interiors 131 (1), 29-45, 2002 | 253 | 2002 |
| Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detail C Kutzner, H Grubmüller, BL De Groot, U Zachariae Biophysical journal 101 (4), 809-817, 2011 | 244 | 2011 |
| Speeding up parallel GROMACS on high‐latency networks C Kutzner, D Van Der Spoel, M Fechner, E Lindahl, UW Schmitt, ... Journal of Computational Chemistry 28 (12), 2075-2084, 2007 | 162 | 2007 |
| Caught in the act: visualization of SNARE‐mediated fusion events in molecular detail HJ Risselada, C Kutzner, H Grubmüller ChemBioChem 12 (7), 1049-1055, 2011 | 156 | 2011 |
| Solving software challenges for exascale S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl Lecture Notes in Computer Science 8750, 3-27, 2015 | 143 | 2015 |
| Simulated geomagnetic reversals and preferred virtual geomagnetic pole paths C Kutzner, UR Christensen Geophysical Journal International 157 (3), 1105-1118, 2004 | 98 | 2004 |
| Automated cryo-EM structure refinement using correlation-driven molecular dynamics M Igaev, C Kutzner, LV Bock, AC Vaiana, H Grubmüller Elife 8, e43542, 2019 | 90 | 2019 |
| A GPU-accelerated fast multipole method for GROMACS: performance and accuracy B Kohnke, C Kutzner, H Grubmüller Journal of Chemical Theory and Computation 16 (11), 6938-6949, 2020 | 88 | 2020 |
| GROmaρs: A GROMACS-based toolset to analyze density maps derived from molecular dynamics simulations R Briones, C Blau, C Kutzner, BL de Groot, C Aponte-Santamaría Biophysical journal 116 (1), 4-11, 2019 | 88 | 2019 |
| Effects of driving mechanisms in geodynamo models C Kutzner, U Christensen Geophysical Research Letters 27 (1), 29-32, 2000 | 86 | 2000 |
| Insights into the function of ion channels by computational electrophysiology simulations C Kutzner, DA Köpfer, JP Machtens, BL De Groot, C Song, U Zachariae Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1741-1752, 2016 | 76 | 2016 |
| GROMACS in the cloud: A global supercomputer to speed up alchemical drug design C Kutzner, C Kniep, A Cherian, L Nordstrom, H Grubmüller, BL de Groot, ... Journal of Chemical Information and Modeling 62 (7), 1691-1711, 2022 | 56 | 2022 |
| Keep it flexible: driving macromolecular rotary motions in atomistic simulations with GROMACS C Kutzner, J Czub, H Grubmüller Journal of chemical theory and computation 7 (5), 1381-1393, 2011 | 53 | 2011 |
| Spoel, D. vd & Lindahl, E. GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation B Hess, C Kutzner J. Chem. Theory Comput 4, 435-447, 2008 | 44 | 2008 |
| Molecular dynamics in principal component space S Michielssens, TS van Erp, C Kutzner, A Ceulemans, BL de Groot The Journal of Physical Chemistry B 116 (29), 8350-8354, 2012 | 27 | 2012 |
