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Carsten Kutzner
Carsten Kutzner
Max Planck Institute for Multidisciplinary Sciences
Bestätigte E-Mail-Adresse bei gwdg.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
166282008
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
10452015
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
5162007
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
3422019
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
2592015
From stable dipolar towards reversing numerical dynamos
C Kutzner, UR Christensen
Physics of the Earth and Planetary Interiors 131 (1), 29-45, 2002
2532002
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
2442011
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
1632007
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
1562011
Solving software challenges for exascale
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Lecture Notes in Computer Science 8750, 3-27, 2015
1452015
Simulated geomagnetic reversals and preferred virtual geomagnetic pole paths
C Kutzner, UR Christensen
Geophysical Journal International 157 (3), 1105-1118, 2004
982004
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
902020
Automated cryo-EM structure refinement using correlation-driven molecular dynamics
M Igaev, C Kutzner, LV Bock, AC Vaiana, H Grubmüller
Elife 8, e43542, 2019
902019
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
882019
Effects of driving mechanisms in geodynamo models
C Kutzner, U Christensen
Geophysical Research Letters 27 (1), 29-32, 2000
862000
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
762016
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
572022
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
532011
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
442008
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
272012
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