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Jens Krüger
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Jens Krüger

University of Tübingen
Wilhelm Schickard Institute for Computer Science
Applied Bioinformatics Group
Sand 14, D-72076 Tübingen

Work: +49-7071-29-70459

Biography:

Education

Academic Positions

  • since 2011 - Habilitand in the Applied Bioinformatics Group of Prof. Dr. O. Kohlbacher, University of Tübingen, Germany
  • 2009 - 2011 - Postdoctoral fellow in the group of Prof. Dr. G. Fels, Department of Chemistry, University of Paderborn, Germany
  • 2007 - 2009 - Postdoctoral fellow in the group of Prof. Dr. W. Fischer, Biophotonic, National Yang-Ming University, Taiwan
  • 2002 - 2006 - Research Associate in the group of Prof. Dr. G. Fels, Department of Chemistry, University of Paderborn, Germany

Research Interests

  • Molecular Simulations
  • Membrane Proteins
  • Portals for Scientists
  • Workflows
  • Allosteric Mechanisms of Function
  • Efficient Computing

Projects

Honors and Stipends

  • May 2014 - Yasara Prize for Best Poster at Faraday Discussion 169
  • June 2010 - CBSB10 Outstanding Young Researcher Award
  • March 2009 - February 2010 - Alexander von Humboldt-Stiftung (AvH) research scholarship
  • February 2008 - February 2009 - Alexander von Humboldt-Stiftung (AvH) / National Science Council Taiwan (NSC) research scholarship
  • October 2005 - Erasmus Teaching Mobility Grant, lecture series at the Kimya Fakültesi, Mersin Üniversitesi, Turkey, 2005
  • February 2004 - Scholarship of the International Isotope Society, Central European Divison (IIS-CED)
  • October 1999 - April 2000 - Erasmus Scholarship, Département Chimie Organique, École Nationale Supérieure de Chimie de Montpellier, France

Publications

    • J. Arshad, A. Hoffmann, S. Gesing, R. Grunzke, J. Krüger, T. Kiss, S. Herres-Pawlis and G. Terstyanszky: Multi-level Meta-workflows: New Concept for Regularly Occurring Tasks in Quantum Chemistry, Journal of Chemoinformatics, 2016 (in print).
    • L. Zimmermann, R. Grunzke and J. Krüger: Maintaining a Science Gateway – Lessons Learned from MoSGrid, HICSS50, (accepted).
    • J. Krüger and O. Kohlbacher: Containerization and Wrapping of a Mass Spectra Prediction Workflow, IWSG2016, Rome, Italy (accepted).
    • G. Terstyanszky, A. Laganà, G. Cardini, J. Krüger, J. Stare, L. Bañares, M. Celino, R. Grunzke, R. Richter, R. Vianello, and S. Herres-Pawlis: The Sumo-Chem H2020 proposal, VIRT&L-COMM, 2016.
    • J. Krüger, P. Thiel, I. Merelli, R. Grunzke and S. Gesing: Portals and Web-based Resources for Virtual Screening, Curr. Drug Targets, vol. 17, 2016 (in print).
      R. Grunzke, J. Krüger, R. Jäkel, W. E. Nagel, S. Herres-Pawlis and A. Hoffmann: Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support, Journal of Grid Computing, 1-13, 2016.
    • O. de Lange, C. Wolf, P. Thiel, J. Krüger, C. Kleusch, O. Kohlbacher and T. Lahaye: Novel marine-bacterial proteins with TALE-like DNA binding properties and structure despite low sequence similarity, Nucleic Acids Research 2015, doi: 10.1093/nar/gkv1053.
    • S. Gesing, R. Dooley, M. Pierce, J. Krüger, R. Grunzke, S. Herres-Pawlis, A. Hoffmann: Science Gateways – Leveraging Modeling and Simulations in HPC Infrastructures via Increased Usability, International Conference on High Performance Computing & Simulation (HPCS 2015), 19-26, doi: 10.1109/HPCSim.2015.7237017
    • R. Grunzke, J. Krüger, S. Gesing, S. Herres-Pawlis, A. Hoffmann, A. Aguilera and W. E. Nagel: Managing Complexity in Distributed Data Life Cycles for Molecular Simulations and Beyond, IEEE 11th International Conference on e-Science (e-Science 2015), 371-380, doi: 10.1109/eScience.2015.72.
    • S. Gesing, J. Krüger, R. Grunzke, S. Herres-Pawlis and A. Hoffmann: Challenges and Modifications for Creating a MoSGrid Science Gateway for US and European Infrastructures, IWSG 2015 (7th International Workshop on Science Gateways), 73-79.
    • S. Herres-Pawlis, A. Hoffmann, T. Rösener, J. Krüger, R. Grunzke and S. Gesing: Multi-layer Meta-metaworkflows for the Evaluation of Solvent and Dispersion Effects in Transition Metal Systems Using the MoSGrid Science Gateways, IWSG 2015 (7th International Workshop on Science Gateways), 47-52.
    • J. Krüger: Web-based MD Simulations using MoSGrid, Proceedings of CELLmicrocosmos neXt 2014, doi:10.2390/biecoll-next2014-7.
    • M. Avbelj, O. O. Wolz, O. Fekonja, M. Benčina, M. Repič, J. Mavri, J. Krüger, C. Schärfe, M. Delmiro Garcia, G. Panter, O. Kohlbacher, A. N. R. Weber, R. Jerala: Activation of lymphoma-associated MyD88 mutations via allostery-induced TIR domain oligomerization, Blood 2014, 124(26):3896-3904, doi:10.1182/blood-2014-05-573188.
    • S. Gesing, J. Krüger, R. Grunzke, L. de la Garza,S. Herres-Pawlis and A. Hoffmann: A Science Gateway Tailored to the Molecular Simulation Community, in Science Gateways for Distributed Computing Infrastructures, ed. by P. Kaczuk, Springer 2014, ISBN 978-3-319-11267-1, pp 151-165.
    • S. Delgado Olabarriaga, A. Benabdelkader, M. W. A. Caan, M. Mahdi Jaghoori, J. Krüger, L. de la Garza, C. Mohr, B. Schubert, A. Danezi and T. Kiss: WS-PGRADE/gUSE-Based Science Gateways in Teaching, in Science Gateways for Distributed Computing Infrastructures, ed. by P. Kaczuk, Springer 2014, ISBN 978-3-319-11267-1, pp 223-234.
    • A. K. Hildebrandt, D. Stöckel, N. M. Fischer, L. de la Garza, J. Krüger, S. Nickels, M. Röttig, C. Schärfe, M. Schumann, P. Thiel, H. P. Lenhof, O. Kohlbacher and A. Hildebrandt: ballaxy: web services for structural bioinformatics, Bioinformatics 2014, doi:10.1093/bioinformatics/btu57.
    • J. Krüger, R. Grunzke, S. Herres-Pawlis, A. Hoffmann, L. de la Garza, O. Kohlbacher, W.E. Nagel and S. Gesing: Performance Studies on Distributed Virtual Screening, BioMed Research International BioMed Research International 2014, Article ID 624024, http://dx.doi.org/10.1155/2014/624024.
    • J. Krüger, R. Grunzke, S. Gesing, S. Breuers, A. Brinkmann, L. de la Garza, O. Kohlbacher, M. Kruse, W.E. Nagel, L. Packschies, R. Müller-Pfefferkorn, P. Schäfer, C. Schärfe, T. Steinke, T. Schlemmer, K. Warzecha, A. Zink and S. Herres-Pawlis: The MoSGrid Science Gateway – A Complete Solution for Molecular Simulations, Journal of Chemical Theory and Computation 2014, 10 (6), 2232–2245, DOI: 10.1021/ct500159h.
    • S. Herres-Pawlis, A. Hoffmann, L. de la Garza, J. Krüger, R. Grunzke, S. Gesing, N. Weingarten and G. Terstyansky: Meta-metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway, IWSG 2014 (6th International Workshop on Science Gateways), June 2014, Dublin, Ireland, pp. 73-78, IEEE Xplore.
    • S. Bozic, J. Krüger, C. Sinner, B. Lutz, A. Schug and I. Kondov: Integration of ESBMTools into the MoSGrid portal using the gUSE technology, IWSG 2014 (6th International Workshop on Science Gateways), June 2014, Dublin, Ireland, pp. 85-90, IEEE Xplore.
    • A. Hoffmann, S. Herres-Pawlis, L. de La Garza, R. Grunzke and J. Krüger: Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway, IWSG 2014 (6th International Workshop on Science Gateways), June 2014, Dublin, Ireland pp. 67-72, IEEE Xplore.
    • S. Herres-Pawlis, A. Hoffmann, A. Balasko, G. Birkenheuer, A. Brinkmann, S. Gesing, R. Grunzke, P. Kacsuk, J. Krüger, G. Terstyansky and N. Weingarten: Quantum chemical metaworkflows in MoSGrid, Concurrency and Computation: Practice and Experience 2014, DOI: 10.1002/cpe.3292.
    • R. Grunzke, S. Gesing, L. de la Garza, A. Hoffmann, S. Herres-Pawlis and J. Krüger: Improved Resilience and Usability for Science Gateway Infrastructures via Integrated Virtual Organizations, In: EGI Community Forum 2014, Helsinki, Finland, May 2014.
    • S. Herres-Pawlis, A. Hoffmann, S. Gesing, L. de la Garza, J. Krüger and R. Grunzke: User-friendly metaworkflows in quantum chemistry, Cluster Computing (CLUSTER), 2013 IEEE International Conference on , pp.1-3, 23-27 Sept. 2013,
      DOI: http://doi.ieeecomputersociety.org/10.1109/CLUSTER.2013.6702700.
    • S. Herres-Pawlis, A. Balasko, G. Birkenheuer, A. Brinkmann, S. Gesing, R. Grunzke, A. Hoffmann, P. Kacsuk, J. Krüger, L. Packschies, G. Terstyansky and N. Weingarten: User-friendly workflows in quantum chemistry, Proceedings of 5th Workshop IWSG2013, Zurich, Switzerland, June 3-5, 2013, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-993/paper14.pdf.
    • L. de la Garza, J. Krüger, C. Schärfe, M. Röttig, S. Aiche, K. Reinert and O. Kohlbacher: From the desktop to the grid: conversion of KNIME Workflows to gUSE, Proceedings of 5th Workshop IWSG2013, Zurich, Switzerland, June 3-5, 2013, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-993/paper9.pdf.
    • R. Grunzke, D. Blunk, S. Breuers, L. de la Garza, S. Gesing, S. Herres-Pawlis, M. Kruse, L. Packschies, P. Schäfer, C. Schärfe, T. Schlemmer, A. Zink, R. Müller-Pfefferkorn and J. Krüger: Standards-based Metadata Management for Molecular Simulations, Concurrency and Computation: Practice and Experience 2013, 26(10):1744-1759, DOI: 10.1002/cpe.3116.
    • G. Lukat, J. Krüger and B. Sommer: APL@Voro: A Voronoi-Based Membrane Analysis Tool for GROMACS Trajectories, Journal of Chemical Information and Modeling 2013, 53(11): 2908–2925.
    • R. Grunzke, G. Birkenheuer, D. Blunk, S. Breuers, A. Brinkmann, S. Gesing, S. Herres-Pawlis, O. Kohlbacher, J. Krüger, M. Kruse, R. Müller-Pfefferkorn, P. Schäfer, B. Schuller, T. Steinke and A. Zink: A Data Driven Science Gateway for Computational Workflows, UNICORE Summit 2012, Dresden, Germany, May 2012, IAS Series 15:35-49.
    • S. Gesing, S. Herres-Pawlis, G. Birkenheuer, A. Brinkmann, R. Grunzke, P. Kacsuk, O. Kohlbacher, M. Kozlovszky, J. Krüger, R. Müller-Pfefferkorn, P. Schäfer and T. Steinke: A Science Gateway Getting Ready for Serving the International Molecular Simulation Community, Proceedings of Science, PoS(EGICF12-EMITC2)050.
    • T. Schlemmer, R. Grunzke, S. Gesing, J. Krüger, G. Birkenheuer, R. Müller-Pfefferkorn and O. Kohlbacher: Generic User Management for Science Gateways via Virtual Organizations, EGI Technical Forum 2012, Prague, Czech Republic, September 2012.
    • S. Herres-Pawlis, G. Birkenheuer, A. Brinkmann, S. Gesing, R. Grunzke, R. Jäkel, O. Kohlbacher, J. Krüger and I. Dos Santos Vieira: Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway, Studies in Health Technology and Informatics, IOS Press, 175:142-151, 2012.
    • S. Gesing and J. Krüger: Workshop Series IWSG-Life, IOS Press, 175:115-118, 2012.
    • S. Gesing, T. Glatard, J. Krüger, S. Delgado Olabarriaga, T. Solomonides, J. Silverstein, J. Montagnat, A. Gaignard and D. Krefting (eds.): HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences, Studies in Health Technology and Informatics, IOS Press, 175, 2012.
    • X. G. Zong, S. Krause, C. C. Chen, J. Krüger, C. Gruner, X. C. Cao-Ehlker, S. Fenske, C. Wahl-Schott, and M. Biel: Regulation of HCN channel activity by cyclic cytidine 3', 5'- monophosphate (cCMP), Journal of Biological Chemistry, 287(32): 26506-26512, 2012.
    • O. Niehörster, A. Brinkmann, A. Keller, C. Kleineweber, J. Krüger and J. Simon: Cost-Aware and SLO-Fulfilling Software as a Service, Journal of Grid Computing, 10(3): 553-577, 2012.
    • R. Grunzke, S. Gesing, J. Krüger, G. Birkenheuer, M. Wewior, P. Schäfer, B. Schuller, J. Schuster, S. Herres-Pawlis, S. Breuers, A. Balaskó, M. Kozlovszky, A. Szikszay Fabri, L. Packschies, P. Kacsuk, D. Blunk, T. Steinke A. Brinkmann, G. Fels, R. Müller-Pfefferkorn, R. Jäkel and O. Kohlbacher: A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics, Journal of Grid Computing, 10(4):769-790, 2012.
    • S. Gesing, S. Herres-Pawlis, G. Birkenheuer, A. Brinkmann, R. Grunzke, P. Kacsuk, O. Kohlbacher, M. Kozlovszky, J. Krüger, R. Müller-Pfefferkorn, P. Schäfer and T. Steinke: The MoSGrid Community – From National to International Scale, EGI Community Forum, March 2012.
    • G. S. Hong, C. P. Chen, M. H. Lin, J. Krüger, C. F. W. Becker, R. H. A. Fink and W. B. Fischer: Molecular dynamics simulations and conductance studies of the interaction of VP1 from Polio virus and gp41 fusion peptide from HIV-1 with lipid membranes, Molecular Membrane Biology, 29:9-25, 2012.
    • S. Gesing, R. Grunzke, A. Balasko, G. Birkenheuer, D. Blunk, S. Breuers, A. Brinkmann, G. Fels, S. Herres-Pawlis, P. Kacsuk, M. Kozlovszky, J. Krüger, L. Packschies, P. Schäfer, B. Schuller, J. Schuster, T. Steinke, A. Szikszay Fabri, M. Wewior, R. Müller-Pfefferkorn and O. Kohlbacher: Granular Security for a Science Gateway in Structural Bioinformatics, IWSG-Life 2011 Proceedings of 3rd Workshop IWSG-Life 2011, London, UK, June 8-10, 2011, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-819/paper8.pdf 2011.
    • S. Gesing, P. Kacsuk, M. Kozlovszky, G. Birkenheuer, D. Blunk, S. Breuers, A. Brinkmann, G. Fels, R. Grunzke, S. Herres-Pawlis, J. Krüger, L. Packschies, R. Müller-Pfefferkorn, P. Schäfer, T. Steinke, A. Szikszay Fabri, K. Warzecha, M Wewior and O. Kohlbacher: A Science Gateway for Molecular Simulations In: EGI User Forum 2011, Book of Abstracts, pp. 94-95, ISBN 978-90-816927-1-7, 2011.
    • M. Tusch, J. Krüger and G. Fels: Structural Stability of V-Amylose Helices in Water-DMSO Mixtures Analysed by Molecular Dynamics, Journal of Chemical Theory and Computation, 7(9):2919-2928, 2011.
    • S. Rubert, C. Gamroth, J. Krüger and B. Sommer: Grid Workflow Approach using the CELLmicrocosmos 2.2 MembraneEditor and UNICORE to commit and monitor GROMACS Jobs, GWW2011 in: Proc. of Grid Workflow Workshop 2011, Cologne, Germany, vol. 826, CEUR Workshop Proceedings, 2012.
    • G. Birkenheuer, D. Blunk, S. Breuers, A. Brinkmann, G. Fels, S. Gesing, R. Grunzke, S. Herres-Pawlis, O. Kohlbacher, J. Krüger, U. Lang, L. Packschies, R. Müller-Pfefferkorn, P. Schäfer, J. Schuster, T. Steinke, K. D. Warzecha and Martin Wewior: MoSGrid: Progress of Workflow driven Chemical Simulations, GWW2011 in: Proc. of Grid Workflow Workshop 2011, Cologne, Germany, vol. 826, CEUR Workshop Proceedings, 2012.
    • B. Sommer, T. Dingersen, C. Gamroth, S.E. Schneider, S. Rubert, J. Krüger, K. J. Dietz: CELLmicrocosmos 2.2 MembraneEditor: A modular interactive shape-based software approach to solve heterogenous membrane packing problems, Journal of Chemical Information and Modelling, 51(5):1165-1182, 2009.
    • J. Krüger and G. Fels: Ion Channeling Characteristics of nAChR Subtypes, From Computational Biophysics to Systems Biology (CBSB11), Proceedings, P. Carloni, U. H. E. Hansmann, T. Lippert, J. H. Meinke, S. Mohanty, W. Nadler, O. Zimmermann (Hrsg.), ISBN 978-3-89336-748-1, 2011.
    • S. Gesing, I. Marton, G. Birkenheuer, B. Schuller, R. Grunzke, J. Krüger, S. Breuers, D. Blunk, G. Fels, L. Packschies, A. Brinkmann, O. Kohlbacher and M. Kozlovszky: Workflow Interoperability in a Grid Portal for Molecular Simulations, Proceedings of the International Workshop on Science Gateways (IWSG2010), ed. by R. Barbera, G. Andronico and G. La Rocca, pp. 44-48, Consorzio COMETA ISBN 978-88-95892-03-0.
    • M. Wewior, L. Packschies, D. Blunk, D. Wickeroth, K. Warzecha, S. Herres-Pawlis, S. Gesing,
      S. Breuers, J. Krüger, G. Birkenheuer and U. Lang: The MoSGrid Gaussian portlet - Technologies for Implementation of Portlets for Molecular Simulations, Proceedings of the International Workshop on Science Gateways (IWSG2010), ed. by R. Barbera, G. Andronico and G. La Rocca, pp. 39-43, Consorzio COMETA ISBN 978-88-95892-03-0.
    • J. Krüger, G. Birkenheuer, S. Breuers, S. Gesing, M. Wewior, A. Brinkmann, D. Blunk, O. Kohlbacher, L. Packschies and G. Fels: Workflows and Analysis Approaches for Molecular Dynamics Simulations, Proceedings of the International Workshop on Science Gateways (IWSG2010), ed. by R. Barbera, G. Andronico and G. La Rocca, pp. 61, Consorzio COMETA ISBN 978-88-95892-03-0.
    • O. Niehörster, A. Brinkmann, G. Fels, J. Krüger and J. Simon: Enforcing SLAs in Scientific Clouds.
      In Proceedings of the 12th IEEE International Conference on Cluster Computing (Cluster2010), Heraklion, 2010.
    • C. C. Chen, J. Krüger, I. Sramala, P. Henklein, Y. M. A. Chen and W. B. Fischer: ORF8a of Human SARS-CoV forms an ion channel: Experiments and molecular dynamics simulations, Biochimica et Biophysica Acta – Biomembranes, 1808:572-579, 2010.
    • J. Krüger and G. Fels: Ion Permeation Simulations by Gromacs – An Example of High Performance Molecular Dynamics, Concurrency and Computation: Practice and Experience, 23:279-291, 2010.
    • G. Birkenheuer, S. Breuers, A. Brinkmann, D. Blunk, S. Gesing, S. Herres-Pawlis, J. Krüger,
      L. Packschies and G. Fels: Grid-Workflows in Molecular Science, Proceedings of the Grid Workflow Workshop (GWW), Paderborn, Germany, February 23, 2010.
    • O. Niehörster, G. Birkenheuer, A. Brinkmann, D. Blunk, B. Elsässer, S. Herres-Pawlis, J. Krüger,
      J. Niehörster, L. Packschies and G. Fels: Providing Scientific Software as a Service in Consideration of Service Level Agreements, Proceedings of the Cracow Grid Workshop (CGW), Cracow, Poland, October 12-14, 2009.
    • J. Krüger and G. Fels: Potential of Mean Force of Ion Permeation through alpha7 nAChR Ion Channel, Proceedings of the IWPLS'09, Edinburgh, UK, September 14-15, 2009, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-513/paper06.pdf.
    • J. Krüger and W. B. Fischer: Structural implications of mutations assessed by molecular dynamics: Vpu1-32 from HIV-1, European Biophysical Journal, 39:1069-1077, 2009.
    • J. Krüger and W. B. Fischer: Assembly of viral Membrane Proteins, Journal of Chemical Theory and Computation 5(9):2503-2513, 2009.
    • W. B. Fischer, J. Krüger: Viral channel forming proteins, International Review of Cell and Molecular Biology 275:35-63, 2009.
    • J. Krüger and W. B. Fischer: Exploring the Conformational Space of Vpu from HIV-1: a versatile adaptable protein, Journal of Computational Chemistry 28(14):2416-2424, 2008.
    • G. Patargias, H. Martay, J. Krüger, C.-P. Chen, Y.-T. Wang, M.-D. Lee, C.-C. Chen, G.-S. Hong and
      W. B. Fischer: Short Membrane Proteins from Viruses: channel-pore dualism?, From Computation Biophysics to Systems Biology, Proceedings, U. H. E. Hansmann, J. Meinke, S. Mohanty,
      O. Zimmermann (Hrsg.), ISBN 978-3-9810843-6-8, 2008.
    • J. Krüger and W. B. Fischer: Viral membrane proteins: Flexibility and Assembly, From Computation Biophysics to Systems Biology, Proceedings, U. H. E. Hansmann, J. Meinke, S. Mohanty, O. Zimmermann (Hrsg.), ISBN 978-3-9810843-6-8, 2008.
    • J. Krüger, G. Patargias, H. Martay, T. Mehnert, A. Routh, P. J. Judge, Y. H. Lam, D. Fischer, A. Watts and W. B. Fischer: Self- Assembly of Viral Ion Channel Forming Proteins. Proceedings of the IX. Linz Winter Workshop, Trauner Verlag, Linz, ISBN 978-3-85499-400-8, 2007.
    • T. Witte, L. A. Haller, E. Luttmann, J. Krüger, G. Fels and K. Huber: Time Resolved Structure Analysis of Growing β-Amyloid Fibers, Journal of Structural Biology 159(1):71-81, 2007.
    • J. Krüger, B. Manmontri and G. Fels: Iridium catalyzed H/D-exchange, European Journal of Organic Chemistry 7:1402-1408, 2005.
    • J. Krüger, B. Manmontri and G. Fels: H/D-Exchange in aromatic systems using transition metal catalysis, Journal of labelled Compounds and Radiopharmaceuticals 47:1050, 2004.
    • J. Krüger and G. Fels: (-)-[3H]-Galanthamine - Application as Photoaffinity Probe, Journal of labelled Compounds and Radiopharmaceuticals 47:258-260, 2003.

      Talks

      • Molecular Simulations using Workflows and Science Gateways, Sino-German Workshop on Multiscale spatial computational systems biology, Beijing, China, 09. October 2015.

      • Molecular Simulations of Cyclic Nucleotide-gated Channels, Vorlesungsreihe „Modelle erblicher Netzhauterkrankungen: Genetik, Pathophysiologie und Therapie“, University Eye Hospital, Tübingen, Germany, 17. June 2015 (invited).

      • MoSGrid – A Science Gateway for Molecular Simulations, BioData Visualization & Subcellular Localization, Bielefeld, Germany, 26. April 2015 (invited).

      • Scientific Web-based MD Simulations using MoSGrid, CELLmicrocosmos neXt Workshop, German Conference on Bioinformatics, Bielefeld, Germany, 28. September 2014 (invited).

      • Scientific Gateways for High Performance Resources, ZIH-Kolloquium, Zentrum für Informationsdienste und Hochleistungsrechnen, Technische Universität Dresden, Germany, 24. July 2014 (invited).

      • WS-PGRADE for Molecular sciences and XSEDE (together with P. Kacsuk), EGI Community Forum, Helsinki, Finland, 19-23. May 2014.

      • Ion channel simulations using the molecular simulation grid portal, Graduate School Life Science Munich (LSM), Lecture Series, Ludwig-Maximilians-Universität München, Germany, 3. May 2012 (invited).

      • Molecular Simulations using the German Grid, Center of Drug Research, Groups of Prof. Biel and Prof. Wahl-Schott, Ludwig-Maximilians-Universität München, Germany, 2. May 2012 (invited).
      • Visualization and Perspectives, D-Grid Ergebnisworkshop, Bonn, Germany, 19-21. March 2012.
      • Scientific Computing, Colloquium, Center for Parallel Computing (PC²), Paderborn, Germany, 25. January 2011.
      • Molecular Simulation Grid, 6. German Conference on Chemoinformatics – 24. CIC Workshop, Goslar, Germany, 7-9. November 2010.
      • Workflow and Analysis Approaches for Molecular Dynamics Simulations, IWSG2010 (International Workshop on Science Gateways), Catania, Italy, 20-21. September 2010.
      • Ions flux through the nAChR Ion Channel sampled by Steered Molecular Dynamics and Umbrella Sampling, From Computational Biophysics to Systems Biology (CBSB10), Traverse City, USA, 5-8. Juni 2010.
      • Ion Permeation Sampled by Steered Molecular Dynamics and Umbrella Sampling, Computer Simulation and Theory of Macromolecules, Hünfeld, Germany, 16-17. April 2010.
      • Ion Permeation through neuronal nAChR Ion Channel, 5. German Conference on Chemoinformatics – 23. CIC Workshop, Goslar, Germany, 8-10. November 2009.
      • Potential of Mean Force of Ion Permeation through alpha7 nAChR Ion Channel, International Workshop on Portals for Life Science (IWPLS’09), e-Science Institute Edinburgh, Great Britain, 14-15. September 2009.
      • Ion Permeation through Viral Membrane Proteins, Conference on Viral Membrane Proteins, DFG/NSC Bilateral Symposium, University of Heidelberg, Germany, 12-14. December 2008.
      • Flexibility and Assembly of Viral Membrane Proteins, MOE User Group Meeting, Chemical Computing Group, Montréal, Canada, 10-13. June 2008.
      • Viral Membrane Protein Assembly and Lipid Simulations, National Nanotechnology Center (NANOTEC), Bangkok, Thailand, 1. February 2008 (invited).
      • Structural Flexibility and molecular assembly of viral membrane proteins, 1st International Conference on Viral Membrane Proteins, Taipei, Taiwan, 6-8. December 2007.
      • Acetylcholine Binding Proteins in Alzheimer Research, Chemical Computing Group UGM, Cambridge, UK, 3-4. October 2006.
      • Molecular Dynamics - GROMACS on Supercomputers, (http://wwwcs.uni-paderborn.de/pc2/einweihung/main.htm) Inauguration of the Arminius-Cluster, Paderborn, Germany 21. June 2005 (invited).
      • H/D-Exchange in aromatic systems using transition metal catalysis, International Isotope Society CED-Workshop, Bad Soden, Germany, 18. June 2004.
      • (-)-[3H]-Galanthamine - Labelling, derivatization and application as photoaffinity probe, International Isotope Society CED-Workshop, Bad Soden, Germany, 26. September 2003.

      Posters

      • B. Sommer, G. Lukat and J. Krüger: CELLmicrocosmos 2.2.2 membrane editor and APL@Voro: interactively generate and analyse PDB-based membrane models, Molecular Simulations and Visualization, Faraday Discussion 169, Nottingham, UK, 7-9. May 2014.

      • C. Gamroth, S. Rubert, A. Heissmann, G. Lukat, R. Rotzoll, A. Schäfer, J. Krüger and B. Sommer: CELLmicrocosmos 2.2 MembraneEditor - Modeling Membranes for MD Simulations, 27th Molecular Modelling Workshop 2013, Erlangen, Germany, 27. February 2013.

      • G. Lukat, J. Krüger and B. Sommer: APL@Voro: revealing lipid domains with planar subdivisions, CIC/GCC, Goslar, Germany, 11-13. November 2012. S. Rubert, C. Gamroth, A. J. Heissmann, G. Lukat, R. Rotzoll, A. Schäfer, J. Krüger, B. Sommer: The GMX-Plugin for the CELLmicrocosmos MembraneEditor, CIC/GCC, Goslar, 7-9. November 2011.

      • G. Birkenheuer, D. Blunk, S. Breuers, A. Brinkmann, I. dos Santos Vieira, G. Fels, S. Gesing, R. Grunzke, S. Herres-Pawlis, O. Kohlbacher, J. Krüger, U. Lang, L. Packschies, R. Müller-Pfefferkorn, P. Schäfer, T. Steinke, K. D. Warzecha and M. Wewior: MoSGrid: Efficient Data Management and a Standardized Data Exchange Format for Molecular Simulations in a Grid Environment, CIC/GCC, Goslar, 7-9. November 2011.
      • J. Krüger and G. Fels: Ion Channeling Characteristics of nAChR Subtypes, From Computational Biophysics to System Biology (CBSB11), Forschungszentrum Jülich, Germany, 20-22. July 2011.
      • B. Sommer, T. Dingersen, C. Gamroth, A. J. Heissmann, G. Lukat, R. Rotzoll, R. Rubert, A. Schäfer and J. Krüger: Coarse-grained and All-atom MD Simulations with Gromacs based on CELLMicrocosmos 2.2 Model Membranes, Goslar, 7-9. November 2010.
      • S. Herres-Pawlis, G. Birkenheuer, D. Blunk, A. Brinkmann, I. dos Santos Vieira, G. Fels, S. Gesing, R. Grunzke, O. Kohlbacher, N. Kruber, J. Krüger, U. Lang, L. Packschies, R. Müller-Pfefferkorn, P. Schäfer, H. G. Schmalz, T. Steinke, K. D. Warzecha and M. Wewior: MoSGrid – A Molecular Simulation Grid as a New Tool in Computational Chemistry, Biology and Material Science, Goslar, 7-9. November 2010.
      • B. Sommer und J. Krüger: Development towards a CELLmicrocosmos 2.2 based M.D. Edition. 3rd EuCheMS Chemistry Congress, Nürnberg, 29. August – 2. September 2010.
      • J. Krüger und G. Fels: Ion Permeation Sampled by Steered Molecular Dynamics and Umbrella Sampling. Computer Simulation and Theory of Macromolecules, Hünfeld, Germany, 16-17. April 2009.
      • J. Krüger and W. B. Fischer: Assembly and Ion Permeation of Viral Membrane Proteins. Computer Simulation and Theory of Macromolecules, Hünfeld, Germany, 17-18. April 2009.
      • Y. T. Wang, J. Krüger, P. Henklein, T. Y. Tsai, Y. H. W. Lee and W. B. Fischer: Self-assembly of p7 from HCV in lipid membranes, Conference on Viral Membrane Proteins, DFG/NSC Bilateral Symposium, University of Heidelberg, Germany, 12-14. December 2008.
      • G. S. Hong, J. Krüger and W. B. Fischer: Protein – lipid interactions of viral entry proteins form Polio Virus, Conference on Viral Membrane Proteins, DFG/NSC Bilateral Symposium, University of Heidelberg, Germany, 12-14. December 2008.
      • C. C. Chen, A. Ruiz, R. Mitchell, J. Krüger, E. B. Stephens, J. Guatelli and W. B. Fischer: Implications for Interactions of Transmembrane Domains of BST-2 and Vpu, Conference on Viral Membrane Proteins, DFG/NSC Bilateral Symposium, University of Heidelberg, Germany, 12-14. December 2008.
      • C. C. Chen, J. Krüger, I. Sramala, P. Henklein, Y. M. A. Chen and W. B. Fischer: Open Reading Frame 8a of the Human Severe Acute Respiratory Syndrome Coronavirus forms an ion channel: Experiments and molecular dynamics simulations, Conference on Viral Membrane Proteins, DFG/NSC Bilateral Symposium, University of Heidelberg, Germany, 12-14. December 2008.
      • J. Krüger, C. C. Chen and W. B. Fischer: Functional Models of Viral Membrane Proteins, The 9th Taiwan International Symposium on Statistical Physics, Institute of Physics, Academica Sinica, Taipei, Taiwan, 8-12. July 2008.
      • G. S. Hong, J. Krüger and W. B. Fischer: Stability of VP1 from Polio Virus in a Lipid Membrane, The 9th Taiwan International Symposium on Statistical Physics, Institute of Physics, Academica Sinica, Taipei, Taiwan, 8-12. July 2008.
      • Y. T. Wang, J. Krüger, I. Sramala, T. Y. Tsai, Y. H. Lee Wu and W. B. Fischer: p7 from HCV: A Channel Forming Membrane Protein, The 9th Taiwan International Symposium on Statistical Physics, Institute of Physics, Academica Sinica, Taipei, Taiwan, 8-12. July 2008.
      • C. C. Chen, J. Krüger, I. Sramala, S. J. Liu, C. Y. Chen, Y. M. A. Chen and W. B. Fischer: Modeling the Channel Forming Protein Open Reading Frame 8a from Human SARS-CoV, The 9th Taiwan International Symposium on Statistical Physics, Institute of Physics, Academica Sinica, Taipei, Taiwan, 8-12. July 2008.
      • J. Krüger and W. B. Fischer: Flexibility and Assembly of Viral Membrane Proteins, Moe User Group Meeting, Chemical Computing Group (CCG), Montréal, Canada, 10-13. June 2008.
      • C. C. Chen, Jens Krüger, Issara Sramala, S. J. Liu, C.Y. Chen, Y. M. A. Chen and W. B. Fischer: ORF8a from SARS Coronavirus: Experiments and molecular dynamics simulations, The 13th Joint Biophysics Conference, National Chung Hsing University, Nantou, Taiwan, 21-24. May 2008.
      • J. Krüger and W. B. Fischer: Viral Membrane Proteins: Flexibility and Assembly, From Computational Biophysics to System Biology (CBSB08), Forschungszentrum Jülich, Germany, 19-21. May 2008.
      • J. Krüger and W. B. Fischer: Biophysical Properties of Liposomes derived by Coarse-Grained Simulation. Annual Meeting of the Physical Society of the Republic of China, Hsinchu, Taiwan, 28-30. January 2008.
      • C. C. Chen, I. Sramala, J. Krüger, A. Chen and W. B. Fischer: Mechanisms of Function of Open Reading Frame 8a Membrane-associated Protein from the Human Severe Acute Respiratory Syndrome Coronavirus, 1st International Conference on Viral Membrane Proteins, Taipei, Taiwan 6-8. December 2007.
      • C. P. Chen, I. Sramala, J. Krüger and W. B. Fischer: Viral Ion Channel Vpr from HIV-1, 1st International Conference on Viral Membrane Proteins, Taipei , Taiwan, 6-8. December 2007.
      • J. Krüger and W. B. Fischer: Viral Membrane Protein Assembly. GBM Fall Meeting – Molecular Life Sciences 2007, University of Hamburg, Germany, 16-19. September 2007.
      • J. Krüger and W. B. Fischer: Molecular Assembly of Membrane Proteins. 2007 Taipei International Workshop for Soft Matter and Biophysics, Academica Sinica, Taipei, Taiwan , 21-24. May 2007.
      • J. Krüger and W. B. Fischer: Exploring Conformational Space of Monomeric Proteins in Lipid Membranes. Multiscale Dynamics of Biomolecules 2007, Academica Sinica, Taipei, Taiwan, 13-14. April 2007.
      • J. Krüger and G. Fels: Ion permeation through the nAChR. 367. WE-Heraeus-Seminar, Bad Honef, Germany, 22-24. May 2006.
      • J. Krüger and G. Fels: Conformational changes of AChBP. Computer Simulation and Theory of Macromolecules, Hünfeld, Germany, 22-23. May 2005. 

      Teaching

      • SS 2016 - "Bioinformatics for Life Scientists" at the University of Tübingen, Germany
      • WS 2015/16 - "Drug Design 1" together with P. Thiel at the University of Tübingen, Germany
      • SS 2015 - "Bioinformatics for Life Scientists" at the University of Tübingen, Germany
      • WS 2014/15 - "Applied Structure-Based Drug Design" together with F. Aicheler at the University of Tübingen, Germany
      • WS 2014/15 - "Drug Design 1" together with P. Thiel at the University of Tübingen, Germany
      • SS 2014 - "Drug Design 2" together with P. Thiel at the University of Tübingen, Germany
      • SS 2014 - "Bioinformatics for Life Scientists" together with Prof. Dr. O. Kohlbacher at the University of Tübingen, Germany
      • WS 2013/14 - "Applied Structure-Based Drug Design" together with C. Schärfe and F. Aicheler at the University of Tübingen, Germany
      • WS 2013/14 - "Drug Design 1" together with O. Kohlbacher at the University of Tübingen, Germany
      • SS 2013 - "Drug Design 2" together with O. Kohlbacher at the University of Tübingen, Germany
      • SS 2013 - "Bioinformatik für Lebenswissenschaftler" together with Prof. Dr. O. Kohlbacher at the University of Tübingen, Germany
      • WS 2012/13 - "Applied Structure-Based Drug Design" together with C. Schärfe at the University of Tübingen, Germany
      • WS 2012/13 - "Drug Design 1" at the University of Tübingen, Germany
      • SS 2012 - "Bioinformatik für Lebenswissenschaftler" together with Prof. Dr. O. Kohlbacher at the University of Tübingen, Germany
      • WS 2011/12 - "Applied Structure-Based Drug Design" together with N. Fischer at the University of Tübingen, Germany
      • SS 2011 - "Molecular Modelling" together with Prof. Dr. G. Fels and Dr. B. Elsässer at the University of Paderborn, Germany
      • WS 2010/11 - "Molecular Modelling" together with Prof. Dr. G. Fels and Dr. B. Elsässer at the University of Paderborn, Germany
      • SS 2010 - "Molecular Modelling" together with Prof. Dr. G. Fels and Dr. B. Elsässer at the University of Paderborn, Germany
      • WS 2008/09 - "Introduction to Biophysics" together with Prof. Dr. W. Fischer at the National Yang-Ming University, Taiwan
      • WS 2008/09 - "Computer Simulations of Biomolecules" together with Prof. Dr. W. Fischer at the National Yang-Ming University, Taiwan
      • WS 2007/08 - "Introduction to Biophysics" together with Prof. Dr. W. Fischer at the National Yang-Ming University, Taiwan
      • SS 2007 - "Introduction to Biophysics" together with Prof. Dr. W. Fischer at the National Yang-Ming University, Taiwan
      • SS 2005 - "Introduction to Computational Chemistry" at the Mersin Üniversitesi, Turkey