Carsten Kutzner
Carsten Kutzner
Max Planck Institute for biophysical Chemistry
Verifierad e-postadress på gwdg.de
TitelCiteras avÅr
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
121072008
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
4402007
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
International Conference on Exascale Applications and Software, 3-27, 2014
3192014
From stable dipolar towards reversing numerical dynamos
C Kutzner, UR Christensen
Physics of the Earth and Planetary Interiors 131 (1), 29-45, 2002
2142002
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
1532011
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
1442007
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
1082011
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
1022015
Simulated geomagnetic reversals and preferred virtual geomagnetic pole paths
C Kutzner, UR Christensen
Geophysical Journal International 157 (3), 1105-1118, 2004
822004
Effects of driving mechanisms in geodynamo models
C Kutzner, U Christensen
Geophysical research letters 27 (1), 29-32, 2000
792000
Spoelvan der D, Lindahl E
B Hess, C Kutzner
Gromacs, 0
58
Spoel, D. vd; Lindahl, E
B Hess, C Kutzner
J. Chem. Theory Comput 4, 435, 2008
402008
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
342016
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
342011
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
132012
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
102019
Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC.
C Kutzner, R Apostolov, B Hess, H Grubmüller
Parallel Computing: Accelerating Computational Science and Engineering (CSE …, 2014
102014
Automated cryo-EM structure refinement using correlation-driven molecular dynamics
M Igaev, C Kutzner, LV Bock, AC Vaiana, H Grubmüller
Elife 8, e43542, 2019
82019
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
52019
Improved GROMACS scaling on Ethernet switched clusters
C Kutzner, D van der Spoel, M Fechner, E Lindahl, UW Schmitt, ...
European Parallel Virtual Machine/Message Passing Interface Users’ Group …, 2006
32006
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Artiklar 1–20