Jens Krüger

Publication Activity (10 Years)

Years Active: 2003-2021
Publications (10 Years): 16

Top Topics

Lessons Learned

Scientific Workflows

Top Venues

Future Gener. Comput. Syst.

J. Cheminformatics

Concurr. Comput. Pract. Exp.

Publications

Maximilian Hanussek, Felix Bartusch, Jens Krüger
Performance and scaling behavior of bioinformatic applications in virtualization environments to create awareness for the efficient use of compute resources. PLoS Comput. Biol. 17 (7) (2021)
Beatrice Giuliari, Manuel Kösters, Jan Zhou, Tim Dingersen, André J. Heissmann, Ralf Rotzoll, Jens Krüger, Alejandro Giorgetti, Björn Sommer
The Vesicle Builder - A Membrane Packing Algorithm for the CELLmicrocosmos MembraneEditor. MolVa@Eurographics/EuroVis (2020)
Maximilian Hanussek, Felix Bartusch, Jens Krüger
BOOTABLE: Bioinformatics benchmark tool suite for applications and hardware. Future Gener. Comput. Syst. 102 (2020)
Maximilian Hanussek, Felix Bartusch, Jens Krüger, Oliver Kohlbacher
BOOTABLE: Bioinformatics Benchmark Tool Suite. CCGRID (2019)
Peter Belmann, Björn Fischer, Jan Krüger, Michal Procházka, Helena Rasche, Manuel Prinz, Maximilian Hanussek, Martin Lang, Felix Bartusch, Benjamin Gläßle, Jens Krüger, Alfred Pühler, Alexander Sczyrba
de.NBI Cloud federation through ELIXIR AAI. F1000Research 8 (2019)
Felix Bartusch, Jens Krüger, Klaus Rechert, Oleg Zharkov, Kyryll Udod
CiTAR - Citing & Archiving Research. IWSG (2019)
Felix Bartusch, Maximilian Hanussek, Jens Krüger, Oliver Kohlbacher
Reproducible Scientific Workflows for High Performance and Cloud Computing. CCGRID (2019)
Felix Bartusch, Maximilian Hanussek, Jens Krüger
Automatic Generation of Provenance Metadata during Execution of Scientific Workflows. IWSG (2018)
Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann
Gathering requirements for advancing simulations in HPC infrastructures via science gateways. Future Gener. Comput. Syst. 82 (2018)
Antonio Laganà, Gábor Terstyánszky, Jens Krüger
Open Molecular Science for the Open Science Cloud. ICCSA (3) (2017)
Maximilian Hanussek, Felix Bartusch, Jens Krüger, Oliver Kohlbacher
Efficient Mass Spectra Prediction through Container Orchestration with a Scientific Workflow. IWSG (2017)
Lukas Zimmermann, Richard Grunzke, Jens Krüger
Maintaining a Science Gateway - Lessons Learned from MoSGrid. HICSS (2017)
Richard Grunzke, Jens Krüger, René Jäkel, Wolfgang E. Nagel, Sonja Herres-Pawlis, Alexander Hoffmann
Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support. J. Grid Comput. 15 (1) (2017)
Sandra Gesing, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann
Using Science Gateways for Bridging the Differences between Research Infrastructures. J. Grid Comput. 14 (4) (2016)
Jens Krüger, Oliver Kohlbacher
Containerization and wrapping of a mass spectra prediction workflow. PeerJ Prepr. 4 (2016)
Junaid Arshad, Alexander Hoffmann, Sandra Gesing, Richard Grunzke, Jens Krüger, Tamás Kiss, Sonja Herres-Pawlis, Gábor Terstyánszky
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry. J. Cheminformatics 8 (1) (2016)
Richard Grunzke, Alvaro Aguilera, Wolfgang E. Nagel, Jens Krüger, Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing
Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery. e-Science (2015)
Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann
Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability. HPCS (2015)
Anna Katharina Hildebrandt, Daniel Stöckel, Nina M. Fischer, Luis de la Garza, Jens Krüger, Stefan Nickels, Marc Röttig, Charlotta Schärfe, Marcel Schumann, Philipp Thiel, Hans-Peter Lenhof, Oliver Kohlbacher, Andreas Hildebrandt
ballaxy: web services for structural bioinformatics. Bioinform. 31 (1) (2015)
Sonja Herres-Pawlis, Alexander Hoffmann, Ákos Balaskó, Péter Kacsuk, Georg Birkenheuer, André Brinkmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Gábor Terstyánszky, Noam Weingarten
Quantum chemical meta-workflows in MoSGrid. Concurr. Comput. Pract. Exp. 27 (2) (2015)
Richard Grunzke, Sebastian Breuers, Sandra Gesing, Sonja Herres-Pawlis, Martin Kruse, Dirk Blunk, Luis de la Garza, Lars Packschies, Patrick Schäfer, Charlotta Schärfe, Tobias Schlemmer, Thomas Steinke, Bernd Schuller, Ralph Müller-Pfefferkorn, René Jäkel, Wolfgang E. Nagel, Malcolm P. Atkinson, Jens Krüger
Standards-based metadata management for molecular simulations. Concurr. Comput. Pract. Exp. 26 (10) (2014)
Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Richard Grunzke
Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway. IWSG (2014)
Stefan Bozic, Jens Krüger, Claude Sinner, Benjamin Lutz, Alexander Schug, Ivan Kondov
Integration of eSBMTools into the MoSGrid Portal Using the gUSE Technology. IWSG (2014)
Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Wolfgang E. Nagel, Gábor Terstyánszky, Noam Weingarten
Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway. IWSG (2014)
Gunther Lukat, Björn Sommer, Jens Krüger
Membrane simulation analysis using Voronoi tessellation. J. Cheminformatics 6 (S-1) (2014)
Luis de la Garza, Jens Krüger, Charlotta Schärfe, Marc Röttig, Stephan Aiche, Knut Reinert, Oliver Kohlbacher
From the Desktop to the Grid: conversion of KNIME Workflows to gUSE. IWSG (2013)
Lars Packschies, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Martin Kruse, Ulrich Lang, Ralph Müller-Pfefferkorn, Patrick Schäfer, Tobias Schlemmer, Thomas Steinke, Klaus-Dieter Warzecha, Andreas Zink
The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment. J. Cheminformatics 5 (S-1) (2013)
Charlotta Schärfe, Joachim Taeger, Peggy Reuter, Nina M. Fischer, Jens Krüger, Bernd Wissinger, Oliver Kohlbacher
Development of a pharmacorphore model for pharmacological chaperones targeting mutant trafficking-deficient CNG channels. J. Cheminformatics 5 (S-1) (2013)
Gunther Lukat, Jens Krüger, Björn Sommer
APL@Voro: A Voronoi-Based Membrane Analysis Tool for GROMACS Trajectories. J. Chem. Inf. Model. 53 (11) (2013)
Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Jens Krüger, Ákos Balaskó, Péter Kacsuk, Richard Grunzke, Georg Birkenheuer, Lars Packschies
User-Friendly Workflows in Quantum Chemistry. IWSG (2013)
Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Luis de la Garza, Jens Krüger, Richard Grunzke
User-friendly metaworkflows in quantum chemistry. CLUSTER (2013)
Sonja Herres-Pawlis, Georg Birkenheuer, André Brinkmann, Sandra Gesing, Richard Grunzke, René Jäkel, Oliver Kohlbacher, Jens Krüger, Ines dos Santos Vieira
Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway. HealthGrid (2012)
Sandra Gesing, Richard Grunzke, Jens Krüger, Georg Birkenheuer, Martin Wewior, Patrick Schäfer, Bernd Schuller, Johannes Schuster, Sonja Herres-Pawlis, Sebastian Breuers, Ákos Balaskó, Miklos Kozlovszky, Anna Szikszay Fabri, Lars Packschies, Péter Kacsuk, Dirk Blunk, Thomas Steinke, André Brinkmann, Gregor Fels, Ralph Müller-Pfefferkorn, René Jäkel, Oliver Kohlbacher
A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics. J. Grid Comput. 10 (4) (2012)
Sandra Gesing, Jens Krüger
Workshop Series IWSG-Life. HealthGrid (2012)
Oliver Niehörster, André Brinkmann, Axel Keller, Christoph Kleineweber, Jens Krüger, Jens Simon
Cost-Aware and SLO-Fulfilling Software as a Service. J. Grid Comput. 10 (3) (2012)
Sebastian Rubert, Christian Gamroth, André J. Heissmann, Gunther Lukat, Ralf Rotzoll, Alexander Schäfer, Jens Krüger, Björn Sommer
The GMX-Plugin for the CELLmicrocosmos MembraneEditor. J. Cheminformatics 4 (S-1) (2012)
Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Patrick Schäfer, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior
MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment. J. Cheminformatics 4 (S-1) (2012)
Jens Krüger, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sandra Gesing, Richard Grunzke, Oliver Kohlbacher, Nico Kruber, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Sonja Herres-Pawlis, Patrick Schäfer, Hans-Günther Schmalz, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior
Molecular simulation grid. J. Cheminformatics 3 (S-1) (2011)
Björn Sommer, Tim Dingersen, Christian Gamroth, Sebastian Schneider, Sebastian Rubert, Jens Krüger, Karl-Josef Dietz
CELLmicrocosmos 2.2 MembraneEditor: A Modular Interactive Shape-Based Software Approach To Solve Heterogeneous Membrane Packing Problems. J. Chem. Inf. Model. 51 (5) (2011)
Jens Krüger, Gregor Fels
Ion permeation simulations by Gromacs - an example of high performance molecular dynamics. Concurr. Comput. Pract. Exp. 23 (3) (2011)
Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Ines dos Santos Vieira, Gregor Fels, Sandra Gesing, Richard Grunzke, Sonja Herres-Pawlis, Oliver Kohlbacher, Nico Kruber, Jens Krüger, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Patrick Schäfer, Hans-Günther Schmalz, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior
MoSGrid - a molecular simulation grid as a new tool in computational chemistry, biology and material science. J. Cheminformatics 3 (S-1) (2011)
Sandra Gesing, Richard Grunzke, Ákos Balaskó, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sonja Herres-Pawlis, Péter Kacsuk, Miklos Kozlovszky, Jens Krüger, Lars Packschies, Patrick Schäfer, Bernd Schuller, Johannes Schuster, Thomas Steinke, Anna Szikszay Fabri, Martin Wewior, Ralph Müller-Pfefferkorn, Oliver Kohlbacher
Granular Security for a Science Gateway in Structural Bioinformatics. IWSG-Life (2011)
Björn Sommer, Tim Dingersen, Christian Gamroth, André J. Heissmann, Gunther Lukat, Ralf Rotzoll, Sebastian Rubert, Alexander Schäfer, Jens Krüger
Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes. J. Cheminformatics 3 (S-1) (2011)
Georg Birkenheuer, Sebastian Breuers, André Brinkmann, Dirk Blunk, Gregor Fels, Sandra Gesing, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Lars Packschies
Grid-Workflows in Molecular Science. Software Engineering (Workshops) (2010)
Jens Krüger, Gregor Fels
Ion permeation through neuronal nAChR ion channel. J. Cheminformatics 2 (S-1) (2010)
Oliver Niehörster, André Brinkmann, Gregor Fels, Jens Krüger, Jens Simon
Enforcing SLAs in Scientific Clouds. CLUSTER (2010)
Jens Krüger, Gregor Fels
Potential of Mean Force of Ion Permeation through alpha7 nAChRIon Channel. IWPLS (2009)
Jens Krüger, Wolfgang B. Fischer
Exploring the conformational space of Vpu from HIV-1: A versatile adaptable protein. J. Comput. Chem. 29 (14) (2008)
Aidong Yang, Marcus Schlüter, Birgit Bayer, Jens Krüger, E. Haberstroh, Wolfgang Marquardt
A concise conceptual model for material data and its applications in process engineering. Comput. Chem. Eng. 27 (4) (2003)