Jens Krüger

According to our database, Jens Krüger authored at least 50 papers between 2003 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2021

Performance and scaling behavior of bioinformatic applications in virtualization environments to create awareness for the efficient use of compute resources.

Maximilian Hanussek, Felix Bartusch, Jens Krüger

PLoS Comput. Biol., 2021

2020

BOOTABLE: Bioinformatics benchmark tool suite for applications and hardware.

Maximilian Hanussek, Felix Bartusch, Jens Krüger

Future Gener. Comput. Syst., 2020

The Vesicle Builder - A Membrane Packing Algorithm for the CELLmicrocosmos MembraneEditor.

Beatrice Giuliari, Manuel Kösters, Jan Zhou, Tim Dingersen, André J. Heissmann, Ralf Rotzoll, Jens Krüger, Alejandro Giorgetti, Björn Sommer

Proceedings of the 3rd Workshop on Molecular Graphics and Visual Analysis of Molecular Data, 2020

2019

de.NBI Cloud federation through ELIXIR AAI.

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

F1000Research, 2019

BOOTABLE: Bioinformatics Benchmark Tool Suite.

Maximilian Hanussek, Felix Bartusch, Jens Krüger, Oliver Kohlbacher

Proceedings of the 19th IEEE/ACM International Symposium on Cluster, 2019

Reproducible Scientific Workflows for High Performance and Cloud Computing.

Felix Bartusch, Maximilian Hanussek, Jens Krüger, Oliver Kohlbacher

Proceedings of the 19th IEEE/ACM International Symposium on Cluster, 2019

2018

Gathering requirements for advancing simulations in HPC infrastructures via science gateways.

Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

Future Gener. Comput. Syst., 2018

Automatic Generation of Provenance Metadata during Execution of Scientific Workflows.

Felix Bartusch, Maximilian Hanussek, Jens Krüger

Proceedings of the 10th International Workshop on Science Gateways, 2018

2017

Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support.

Richard Grunzke, Jens Krüger, René Jäkel, Wolfgang E. Nagel, Sonja Herres-Pawlis, Alexander Hoffmann

J. Grid Comput., 2017

Efficient Mass Spectra Prediction through Container Orchestration with a Scientific Workflow.

Maximilian Hanussek, Felix Bartusch, Jens Krüger, Oliver Kohlbacher

Proceedings of the 9th International Workshop on Science Gateways, 2017

Open Molecular Science for the Open Science Cloud.

Antonio Laganà, Gábor Terstyánszky, Jens Krüger

Proceedings of the Computational Science and Its Applications - ICCSA 2017, 2017

Maintaining a Science Gateway - Lessons Learned from MoSGrid.

Lukas Zimmermann, Richard Grunzke, Jens Krüger

Proceedings of the 50th Hawaii International Conference on System Sciences, 2017

2016

Containerization and wrapping of a mass spectra prediction workflow.

Jens Krüger, Oliver Kohlbacher

PeerJ Prepr., 2016

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry.

Junaid Arshad, Alexander Hoffmann, Sandra Gesing, Richard Grunzke, Jens Krüger, Tamás Kiss, Sonja Herres-Pawlis, Gábor Terstyánszky

J. Cheminformatics, 2016

Using Science Gateways for Bridging the Differences between Research Infrastructures.

Sandra Gesing, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

J. Grid Comput., 2016

2015

Quantum chemical meta-workflows in MoSGrid.

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

Concurr. Comput. Pract. Exp., 2015

ballaxy: web services for structural bioinformatics.

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

Bioinform., 2015

Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability.

Sandra Gesing, Rion Dooley, Marlon E. Pierce, Jens Krüger, Richard Grunzke, Sonja Herres-Pawlis, Alexander Hoffmann

Proceedings of the 2015 International Conference on High Performance Computing & Simulation, 2015

Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery.

Richard Grunzke, Alvaro Aguilera, Wolfgang E. Nagel, Jens Krüger, Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing

Proceedings of the 11th IEEE International Conference on e-Science, 2015

2014

Membrane simulation analysis using Voronoi tessellation.

Gunther Lukat, Björn Sommer, Jens Krüger

J. Cheminformatics, 2014

Standards-based metadata management for molecular simulations.

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

Concurr. Comput. Pract. Exp., 2014

Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway.

Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Sandra Gesing, Richard Grunzke, Wolfgang E. Nagel, Gábor Terstyánszky, Noam Weingarten

Proceedings of the 6th International Workshop on Science Gateways, 2014

Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway.

Sonja Herres-Pawlis, Alexander Hoffmann, Luis de la Garza, Jens Krüger, Richard Grunzke

Proceedings of the 6th International Workshop on Science Gateways, 2014

Integration of eSBMTools into the MoSGrid Portal Using the gUSE Technology.

Stefan Bozic, Jens Krüger, Claude Sinner, Benjamin Lutz, Alexander Schug, Ivan Kondov

Proceedings of the 6th International Workshop on Science Gateways, 2014

WS-PGRADE/gUSE-Based Science Gateways in Teaching.

Sílvia Delgado Olabarriaga, Ammar Benabdelkader, Matthan W. A. Caan, Mohammad Mahdi Jaghoori, Jens Krüger, Luis de la Garza, Christopher Mohr, Benjamin Schubert, Anatoli Danezi, Tamás Kiss

Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014

Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community.

Sandra Gesing, Jens Krüger, Richard Grunzke, Luis de la Garza, Sonja Herres-Pawlis, Alexander Hoffmann

Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014

2013

APL@Voro: A Voronoi-Based Membrane Analysis Tool for GROMACS Trajectories.

Gunther Lukat, Jens Krüger, Björn Sommer

J. Chem. Inf. Model., 2013

Development of a pharmacorphore model for pharmacological chaperones targeting mutant trafficking-deficient CNG channels.

Charlotta Schärfe, Joachim Taeger, Peggy Reuter, Nina M. Fischer, Jens Krüger, Bernd Wissinger, Oliver Kohlbacher

J. Cheminformatics, 2013

The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment.

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

J. Cheminformatics, 2013

User-Friendly Workflows in Quantum Chemistry.

Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Jens Krüger, Ákos Balaskó, Péter Kacsuk, Richard Grunzke, Georg Birkenheuer, Lars Packschies

Proceedings of the 5th International Workshop on Science Gateways, 2013

From the Desktop to the Grid: conversion of KNIME Workflows to gUSE.

Luis de la Garza, Jens Krüger, Charlotta Schärfe, Marc Röttig, Stephan Aiche, Knut Reinert, Oliver Kohlbacher

Proceedings of the 5th International Workshop on Science Gateways, 2013

User-friendly metaworkflows in quantum chemistry.

Sonja Herres-Pawlis, Alexander Hoffmann, Sandra Gesing, Luis de la Garza, Jens Krüger, Richard Grunzke

Proceedings of the 2013 IEEE International Conference on Cluster Computing, 2013

2012

The GMX-Plugin for the CELLmicrocosmos MembraneEditor.

Sebastian Rubert, Christian Gamroth, André J. Heissmann, Gunther Lukat, Ralf Rotzoll, Alexander Schäfer, Jens Krüger, Björn Sommer

J. Cheminformatics, 2012

MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment.

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

J. Cheminformatics, 2012

Cost-Aware and SLO-Fulfilling Software as a Service.

Oliver Niehörster, André Brinkmann, Axel Keller, Christoph Kleineweber, Jens Krüger, Jens Simon

J. Grid Comput., 2012

A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics.

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

J. Grid Comput., 2012

Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway.

Sonja Herres-Pawlis, Georg Birkenheuer, André Brinkmann, Sandra Gesing, Richard Grunzke, René Jäkel, Oliver Kohlbacher, Jens Krüger, Ines dos Santos Vieira

Proceedings of the HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences, 2012

Workshop Series IWSG-Life.

Sandra Gesing, Jens Krüger

Proceedings of the HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences, 2012

2011

CELLmicrocosmos 2.2 MembraneEditor: A Modular Interactive Shape-Based Software Approach To Solve Heterogeneous Membrane Packing Problems.

Björn Sommer, Tim Dingersen, Christian Gamroth, Sebastian Schneider, Sebastian Rubert, Jens Krüger, Karl-Josef Dietz

J. Chem. Inf. Model., 2011

Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes.

Björn Sommer, Tim Dingersen, Christian Gamroth, André J. Heissmann, Gunther Lukat, Ralf Rotzoll, Sebastian Rubert, Alexander Schäfer, Jens Krüger

J. Cheminformatics, 2011

MoSGrid - a molecular simulation grid as a new tool in computational chemistry, biology and material science.

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

J. Cheminformatics, 2011

Molecular simulation grid.

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

J. Cheminformatics, 2011

Ion permeation simulations by Gromacs - an example of high performance molecular dynamics.

Jens Krüger, Gregor Fels

Concurr. Comput. Pract. Exp., 2011

Granular Security for a Science Gateway in Structural Bioinformatics.

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

Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, 2011

2010

Ion permeation through neuronal nAChR ion channel.

Jens Krüger, Gregor Fels

J. Cheminformatics, 2010

Grid-Workflows in Molecular Science.

Georg Birkenheuer, Sebastian Breuers, André Brinkmann, Dirk Blunk, Gregor Fels, Sandra Gesing, Sonja Herres-Pawlis, Oliver Kohlbacher, Jens Krüger, Lars Packschies

Proceedings of the Software Engineering 2010, 2010

Enforcing SLAs in Scientific Clouds.

Oliver Niehörster, André Brinkmann, Gregor Fels, Jens Krüger, Jens Simon

Proceedings of the 2010 IEEE International Conference on Cluster Computing, 2010

2009

Potential of Mean Force of Ion Permeation through alpha7 nAChRIon Channel.

Jens Krüger, Gregor Fels

Proceedings of the International Workshop on Portals for Life Sciences, 2009

2008

Exploring the conformational space of Vpu from HIV-1: A versatile adaptable protein.

Jens Krüger, Wolfgang B. Fischer

J. Comput. Chem., 2008

2003

A concise conceptual model for material data and its applications in process engineering.

Aidong Yang, Marcus Schlüter, Birgit Bayer, Jens Krüger, Edmund Haberstroh, Wolfgang Marquardt

Comput. Chem. Eng., 2003