Publikationen von Carsten Kutzner
Alle Typen
Zeitschriftenartikel (19)
Zeitschriftenartikel
21 (4), S. 1762 - 1786 (2025)
Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications. Journal of Chemical Theory and Computation
Zeitschriftenartikel
21 (4), S. 1787 - 1804 (2025)
Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. Journal of Chemical Theory and Computation
Zeitschriftenartikel
46 (5), e70059 (2025)
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster. Journal of Computational Chemistry
Zeitschriftenartikel
62 (7), S. 1691 - 1711 (2022)
GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. Journal of Chemical Information and Modeling
Zeitschriftenartikel
35 (1), S. 97 - 117 (2021)
A CUDA fast multipole method with highly efficient M2L farfield evaluationfield evaluation. The International Journal of High Performance Computing Applications
Zeitschriftenartikel
16 (11), S. 6938 - 6949 (2020)
A GPU-accelerated fast multipole method for GROMACS: Performance and accuracy. Journal of Chemical Theory and Computation
Zeitschriftenartikel
40 (27), S. 2418 - 2431 (2019)
More bang for your buck: Improved use of GPU nodes for GROMACS 2018. Journal of Computational Chemistry
Zeitschriftenartikel
8, e43542 (2019)
Automated cryo-EM structure refinement using correlation-driven molecular dynamics. eLife
Zeitschriftenartikel
116 (1), S. 4 - 11 (2019)
GROmaρs: A GROMACS-based toolset to analyze density maps derived from molecular dynamics simulations. Biophysical Journal
Zeitschriftenartikel
1858 (7, B), S. 1741 - 1752 (2016)
Insights into the function of ion channels by computational electrophysiology simulations. Biochimica et Biophysica Acta - Biomembranes
Zeitschriftenartikel
36 (26), S. 1990 - 2008 (2015)
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry
Zeitschriftenartikel
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv, 1507.00898v1 (2015)
Zeitschriftenartikel
116 (29), S. 8350 - 8357 (2012)
Molecular dynamics in principal component space. Journal of Physical Chemistry B
Zeitschriftenartikel
101 (4), S. 809 - 817 (2011)
Computational Electrophysiology: The molecular dynamics of ion channel Permeation and selectivity in atomistic detail. Biophysical Journal
Zeitschriftenartikel
7 (5), S. 1381 - 1393 (2011)
Keep it flexible: Driving macromolecular rotary motions in atomistic simulations with GROMACS. Journal of Chemical Theory and Computation
Zeitschriftenartikel
12 (7), S. 1049 - 1055 (2011)
Caught in the act: Visualization of SNARE-mediated fusion events in molecular detail. Chembiochem
Zeitschriftenartikel
4 (3), S. 435 - 447 (2008)
GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation. Journal of Chemical Theory and Computation
Zeitschriftenartikel
317 (5841), S. 1072 - 1076 (2007)
Anatomy and dynamics of a supramolecular membrane protein cluster. Science
Zeitschriftenartikel
28 (12), S. 2075 - 2084 (2007)
Speeding up parallel GROMACS on high-latency networks. Journal of Computational Chemistry Buchkapitel (4)
Buchkapitel
GROMEX: A scalable and versatile fast multipole method for biomolecular simulation. In: Software for Exascale Computing - SPPEXA 2016-2019, S. 517 - 543 (Hg. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)