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Carsten Kutzner

Max Planck Society

18H指数
64论文数
2.0W被引数
收录论文 25
发表时间
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster将GROMACS分子动力学代码扩展到HPC集群上的65k CPU内核
err2025-02-13
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errKutzner, Carsten; Miletic, Vedran; Rodriguez, Karen Palacio; Rampp, Markus; Hummer, Gerhard; de Groot, Bert L.; Grubmueller, Helmut
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Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications
err2025-02-07
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errOAAI
errBriand, Eliane; Kohnke, Bartosz; Kutzner, Carsten; Grubmueller, Helmut
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GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design
err2022-03-30
err59
errOAAI
errKutzner, Carsten; Kniep, Christian; Cherian, Austin; Nordstrom, Ludvig; Grubmueller, Helmut; de Groot, Bert L.; Gapsys, Vytautas
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A CUDA fast multipole method with highly efficient M2L far field evaluation
err2020-10-12
err5
errOAAI
errKohnke, Bartosz; Kutzner, Carsten; Beckmann, Andreas; Lube, Gert; Kabadshow, Ivo; Dachsel, Holger; Grubmueller, Helmut
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More bang for your buck: Improved use of GPU nodes for GROMACS 2018
err2019-07-01
err311
errOAAI
errKutzner, Carsten; Pall, Szilard; Fechner, Martin; Eszternnann, Ansgar; de Groot, Bert L.; Grubmueller, Helmut
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Automated cryo-EM structure refinement using correlation-driven molecular dynamics使用相关驱动的分子动力学自动cryo-em结构精修
err2019-03-04
err71
errOAAI
errIgaev, Maxim; Kutzner, Carsten; Bock, Lars, V; Vaiana, Andrea C.; Grubmueller, Helmut
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Gromaps: A Gromacs-Based Toolset to Analyse Density Maps Derived from Molecular Dynamics Simulations
err2019-02-01
err1
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errBriones, Rodolfo; Blau, Christian; Kutzner, Carsten; de Groot, Bert L.; Aponte-Santamaria, Camilo
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GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations
err2019-01-01
err70
errOAAI
errBriones, Rodolfo; Biau, Christian; Kutzner, Carsten; de Groot, Bert L.; Aponte-Santamaria, Camilo
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Fully Automated Correlation-Based Refinement of Atomic Models into High Resolution Cryo-EM Density Maps
err2018-02-01
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errVaiana, Andrea C.; Igaev, Maxim; Kutzner, Carsten; Grubmueller, Helmut
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A Flexible, GPU - Powered Fast Multipole Method for Realistic Biomolecular Simulations in Gromacs
err2017-02-01
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errKohnke, Bartosz; Ullmann, R. Thomas; Kutzner, Carsten; Beckmann, Andreas; Haensel, David; Kabadshow, Ivo; Dachsel, Holger; Hess, Berk; Grubmueller, Helmut
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Ions in Action - Studying Ion Channels by Computational Electrophysiology in GROMACS
err2017-02-01
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errKutzner, Carsten; Ullmann, R. Thomas; de Groot, Bert L.; Zachariae, Ulrich; Grubmueller, Helmut
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Gromex: Electrostatics with Chemical Variability for Realistic Molecular Simulations on the Exascale
err2017-02-01
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errUllmann, R. Thomas; Kutzner, Carsten; Beckmann, Andreas; Kohnke, Bartosz; Haensel, David; Kabadshow, Ivo; Dachsel, Holger; Hess, Berk; Grubmueller, Helmut
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From CRYO-EM Densities to Atom Coordinates and Ensembles with Bayes Approach
err2016-02-01
err1
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errBlau, Christian; Lenner, Nicolas; Kutzner, Carsten; Grubmuller, Helmut; Lindahl, Erik
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Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
err2015-08-04
err207
errOAAI
errKutzner, Carsten; Pall, Szilard; Fechner, Martin; Esztermann, Ansgar; de Groot, Bert L.; Grubmueller, Helmut
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Bayesian cryo-EM Refinement
err2015-01-01
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errBlau, Christian; Bock, Lars; Kutzner, Carsten; Vaiana, Andrea; Grubmuller, Helmut
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Structural Determinants of Hybrid State Intermediates of the Bacterial Ribosome
err2015-01-01
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errVaiana, Andrea C.; Kutzner, Carsten; Bock, Lars V.; Blau, Christian; Grubmueller, Helmut
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Computational Electrophysiology Reveals Ion Channel Permeation in Atomistic Detail
err2012-01-01
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errZachariae, Ulrich; Kutzner, Carsten; Grubmuller, Helmut; de Groot, Bert
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