Jens Krüger

According to our database1, Jens Krüger
  • authored at least 41 papers between 2003 and 2018.
  • has a "Dijkstra number"2 of four.

Timeline

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Bibliography

2018
Gathering requirements for advancing simulations in HPC infrastructures via science gateways.
Future Generation Comp. Syst., 2018

2017
Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support.
J. Grid Comput., 2017

Open Molecular Science for the Open Science Cloud.
Proceedings of the Computational Science and Its Applications - ICCSA 2017, 2017

Maintaining a Science Gateway - Lessons Learned from MoSGrid.
Proceedings of the 50th Hawaii International Conference on System Sciences, 2017

2016
Containerization and wrapping of a mass spectra prediction workflow.
PeerJ PrePrints, 2016

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry.
J. Cheminformatics, 2016

Using Science Gateways for Bridging the Differences between Research Infrastructures.
J. Grid Comput., 2016

2015
Quantum chemical meta-workflows in MoSGrid.
Concurrency and Computation: Practice and Experience, 2015

ballaxy: web services for structural bioinformatics.
Bioinformatics, 2015

Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability.
Proceedings of the 2015 International Conference on High Performance Computing & Simulation, 2015

Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery.
Proceedings of the 11th IEEE International Conference on e-Science, 2015

2014
Membrane simulation analysis using Voronoi tessellation.
J. Cheminformatics, 2014

Standards-based metadata management for molecular simulations.
Concurrency and Computation: Practice and Experience, 2014

Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway.
Proceedings of the 6th International Workshop on Science Gateways, 2014

Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway.
Proceedings of the 6th International Workshop on Science Gateways, 2014

Integration of eSBMTools into the MoSGrid Portal Using the gUSE Technology.
Proceedings of the 6th International Workshop on Science Gateways, 2014

WS-PGRADE/gUSE-Based Science Gateways in Teaching.
Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014

Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community.
Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014

2013
APL@Voro: A Voronoi-Based Membrane Analysis Tool for GROMACS Trajectories.
Journal of Chemical Information and Modeling, 2013

Development of a pharmacorphore model for pharmacological chaperones targeting mutant trafficking-deficient CNG channels.
J. Cheminformatics, 2013

The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment.
J. Cheminformatics, 2013

User-Friendly Workflows in Quantum Chemistry.
Proceedings of the 5th International Workshop on Science Gateways, 2013

From the Desktop to the Grid: conversion of KNIME Workflows to gUSE.
Proceedings of the 5th International Workshop on Science Gateways, 2013

User-friendly metaworkflows in quantum chemistry.
Proceedings of the 2013 IEEE International Conference on Cluster Computing, 2013

2012
The GMX-Plugin for the CELLmicrocosmos MembraneEditor.
J. Cheminformatics, 2012

MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment.
J. Cheminformatics, 2012

Cost-Aware and SLO-Fulfilling Software as a Service.
J. Grid Comput., 2012

A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics.
J. Grid Comput., 2012

Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway.
Proceedings of the HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences, 2012

Workshop Series IWSG-Life.
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.
Journal of Chemical Information and Modeling, 2011

Coarse-grained and all-atom MD simulations with Gromacs based on CELLmicrocosmos 2.2 model membranes.
J. Cheminformatics, 2011

MoSGrid - a molecular simulation grid as a new tool in computational chemistry, biology and material science.
J. Cheminformatics, 2011

Molecular simulation grid.
J. Cheminformatics, 2011

Ion permeation simulations by Gromacs - an example of high performance molecular dynamics.
Concurrency and Computation: Practice and Experience, 2011


2010
Ion permeation through neuronal nAChR ion channel.
J. Cheminformatics, 2010

Grid-Workflows in Molecular Science.
Proceedings of the Software Engineering 2010, 2010

Enforcing SLAs in Scientific Clouds.
Proceedings of the 2010 IEEE International Conference on Cluster Computing, 2010

2008
Exploring the conformational space of Vpu from HIV-1: A versatile adaptable protein.
Journal of Computational Chemistry, 2008

2003
A concise conceptual model for material data and its applications in process engineering.
Computers & Chemical Engineering, 2003


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