All publications

[accepted] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2009] [2007] [2006] [2005]

*These authors contributed equally to the respective work.

accepted
[99]Gesing, S., Dooley, R., Pierce, M., Krüger, J., Grunzke, R., Herres-Pawlis, S. and Hoffmann, A. (accepted)
Gathering Requirements for Advancing Simulations in HPC Infrastructures via Science Gateways
Future Generation Computer Systems
[98]Wilkins-Diehr, N., Barker M. and Gesing, S. (accepted)
Science Gateways, Virtual Labs and Virtual Research Environments
eResearch Conference Australasia 2016, 10-14 October 2016, Melbourne, Australia
[97]Pierantoni, G., Frost, D., Gesing, S., Olabarriaga, S., Tertyanzsky, G., Jaghoori, M., and Arshad, J. (accepted)
A Model for Information and Action Flows Connecting Science Gateways to Distributed Computing Infrastructures
IWSG 2016 (8th International Workshop on Science Gateways), 8-10 June 2016, Rome, Italy

2017
[96]Katz, D. S., Niemeyer, K. E., Gesing, S., Hwang, L., Bangerth, W., Hettrick, S., Idaszak, R., Salac, J., Chue Hong, N., Corrales, S. N., Allen, A., Geiger, R. S., Miller, J., Chen, E., Dubey, A., Lago, P. (2017)
Report on the Fourth Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE4)
arXiv:1602.02296 [cs.SE]
[95]Gesing, S., Zentner, M., Dahan, M. and Lawrence, K. (2017)
Gateways to Science: Harnessing Big Data and Open Data for Precision Medicine

Book of Abstracts - 2nd Personalized Medicine Conference, pages 55-57, 17 - 20 Mar 2017, Cancun, Mexico
[94]Gesing, S. and Sakellariou, R. (eds.) (2017)
WORKS 2016 - Workshop on Workflows in Support of Large-Scale Science
CEUR Workshop Proceedings, ISSN 1613-0073.
[93]Gesing, S., Carretero, J., Garcia Blas, J. and Montagnat, J. (2017)
Boosting Analyses in the Life Sciences via Clusters, Grids and Clouds
Future Generation Computer Systems, volume 67, pages 325-328, 2017
[92]Gesing, S., Carretero, J., Garcia Blas, J. and Montagnat, J. (eds.) (2017)
Special issue of Boosting Analyses in the Life Sciences via Clusters, Grids and Clouds
Future Generation Computer Systems, volume 67, pages 325-489, 2017
[91]Gesing, S., Wilkins-Diehr, N., Dahan, M., Lawrence, K., Zentner, M., Pierce, M., Hayden, L.B., and Marru, S. (2017)
Science Gateways: The Long Road to the Birth of an Institute
Proc. of HICSS-50 (50th Hawaii International Conference on System Sciences), 4-7 January 2017, Hilton Waikoloa, HI, USA, http://hdl.handle.net/10125/41919

2016
[90]Gesing, S. (2016)
Enabling Research without Geographical Boundaries via Collaborative Research Infrastructures
AGU Fall Meeting, 12 - 16 December 2016, San Francisco, USA
[89]Gesing, S., Wilkins-Diehr, N., Barker, M. and Pierantoni, G. (2016)
Science Gateway Workshops 2015 Special Issue Conference Publications
Journal of Grid Computing (2016), doi:10.1007/s10723-016-9389-4
[88]Gesing, S., Krüger, J., Grunzke, R., Herres-Pawlis, S. and Hoffmann, A. (2016)
Using Science Gateways for Bridging the Differences between Research Infrastructures
Journal of Grid Computing (2016), doi:10.1007/s10723-016-9385-8
[87]Gesing, S., Wilkins-Diehr, N., Barker, M. and Pierantoni, G. (eds.)(2016)
Special Issue on Science Gateways
Journal of Grid Computing, 14(4):495–703, 2016
[86]Arshad, J., Hoffmann, A., Gesing, S., Grunzke, R., Krüger, J., Kiss, T., Herres-Pawlis, S., Terstyanszky, G. (2016)
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry

Journal of Cheminformatics (2016) 8: 58. doi:10.1186/s13321-016-0169-8
[85]Katz, D S, Choi, S-C T , Niemeyer, K E, Hetherington, J, Löffler, F, Gunter, D, Idaszak, R, Brandt, S R, Miller, M A, Gesing, S, Jones, N D, Weber, N, Marru, S, Allen, G, Penzenstadler, B, Venters, C C, Davis, E, Hwang, L, Todorov, I, Patra, A and de Val-Borro, M (2016)
Report on the Third Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE3)
Journal of Open Research Software, 4: e37, DOI: http://dx.doi.org/10.5334/jors.118
[84]Krüger, J., Thiel, P., Merelli, I., Grunzke, R., and Gesing, S. (2016)
Portals and Web-based Resources for Virtual Screening

Current Drug Targets, volume 17, issue 14, pages 1649-1660, year 2016, doi: 10.2174/1389450117666160201105806
[83]Perez-Sanchez, H., Gesing, S. and Merelli, I. (2016)
Editorial: High Performance Computing in Drug Discovery
Current Drug Targets, volume 17, issue 14, pages 1578-1579, year 2016, doi: 10.2174/138945011714160930230542
[82]Perez-Sanchez, H., Gesing, S. and Merelli, I. (eds.) (2016)
Special Issue: High Performance Computing in Drug Discovery
Current Drug Targets, volume 17, issue 14, pages 1578-1703, year 2016
[81]Gesing, S., Dahan, M., Hayden, L.B., Lawrence, K., Marru, S., Pierce, M., Wilkins-Diehr, N. and Zentner, M. (2016)
The Science Gateway Community Institute – Supporting Communities to Achieve Sustainability for their Science Gateways
Proc. of WSSSPE4 (4th Workshop on Sustainable Software for Science: Practice and Experiences), 12 - 14 September 2016, Manchester, UK, CEUR Workshop Proceedings, ISSN 1613-0073.
[80]Allen, G., Carver, J., Choi, S.T., Crick, T., Crusoe, M. R., Gesing, S., Haines, R., Heroux, M., Hwang, L.J., Katz, D.S., Niemeyer, K.E., Parashar, M., and Venters, C.C. (eds.) (2016)
WSSSPE4 - Workshop on Sustainable Software for Science: Practice and Experiences
CEUR Workshop Proceedings, ISSN 1613-0073.
[79]Perez-Sanchez, H., Rezaei, V., Mezhuyev, V., Man, D., Pena-Garcia, J., den-Haan, H. and Gesing, S. (2016)
Developing Science Gateways for Drug Discovery in a Grid Environment
SpringerPlus 2016, 5(1):1-9, doi: 10.1186/s40064-016-2914-x
[78]de la Garza, L., Veit, J., Szolek, A., Röttig, M., Aiche, S., Gesing, S., Reinert, K., and Kohlbacher, O (2016)
From the Desktop to the Grid: scalable Bioinformatics via Workflow Conversion
BMC Bioinformatics 2016, 17(1):127, DOI: 10.1186/s12859-016-0978-9
[77]Haydel, N., Gesing, S., Taylor, I., Madey, G., Dakkak, A., de Gonzalo, S. and Hwu, W. (2016)
Enhancing the Usability and Utilization of Accelerated Architectures via Docker
2015 IEEE/ACM 8th International Conference on Utility and Cloud Computing (UCC), Limassol, 2015, pp. 361-367. doi: 10.1109/UCC.2015.57
[76]Ferguson, H. T., Gesing, S. and Nabrzyski, J. (2016)
Measuring Usability in Decision Tools Supporting Collaborations for Environmental Disaster Response
2016 49th Hawaii International Conference on System Sciences (HICSS), Koloa, HI, USA, 2016, pp. 2872-2881. doi: 10.1109/HICSS.2016.360
[75]Katz, D.S., Choi, S.T., Neimeyer, K.E., Hetherington, J., Löffler, F., Gunter, D., Idaskak, R., Brandt, S.R., Miller, M.A., Gesing, S., Jones, N.D., Weber, N., Marru, S., Allen, G., Penzzenstadler, B., Venters, C.C., Davis, E., Hwnag, L., Todorov, I., Patra, A., and De Val-Borro, M. (2016)
Report on the Third Workshop on Sustainable Software for Science: Practice and Experience (WSSSPE3)
arXiv:1602.02296 [cs.SE]

2015
[74]Gesing, S. and Wilkins-Diehr, N. (2015)
Science gateway workshops 2014 special issue conference publications
Concurrency Computation: Practice and Experience, 27(16):4247–4251, doi: 10.1002/cpe.3615
[73]Carretero, J., Garcia-Blas, J., and Gesing, S. (2015)
Introduction to the Special Issue on Cloud for Health
Scalable Computing: Practice and Experience, Vol. 16, No 1 (2015)
[72]Wilkins-Diehr, N., Gesing, S., and Kiss, T. (2015)
Science gateway workshops 2013 special issue conference publications
Concurrency Computation: Practice and Experience, 27(2):253–257, doi: 10.1002/cpe.3362
[71]Herres-Pawlis, S., Hoffmann, A., Balasko, A., Birkenheuer, G., Brinkmann, A., Gesing, S., Grunzke, R., Kacsuk, P., Krüger, J., Terstyansky, G., and Weingarten, N. (2015)
Quantum chemical metaworkflows in MoSGrid
Concurrency and Computation: Practice and Experience, 27(2):344–357, doi: 10.1002/cpe.3292
[70]Gesing, S., Connor, T.R. and Taylor, I. (2015)
Genomics and Biological Big Data: Facing Current and Future Challenges around Data and Software Sharing and Reproducibility
Position paper at BDAC-15 (Big Data Analytics: Challenges and Opportunities), workshop in cooperation with ACM/IEEE SC15, November 16, 2015, Austin, TX, USA, arXiv:1511.02689 [cs.DC]
[69]McGilvary, G., Atkinson, M., Gesing, S., Aguilera, A., Grunzke, R., and Sciacca, E. (2015)
Enhanced Usability of Managing Workflows in an Industrial Data Gateway
e-Science (e-Science), 2015 IEEE 11th International Conference on, pp.495-502, Aug. 31 2015-Sept. 4 2015. doi: 10.1109/eScience.2015.62
[68]Grunzke, R., Krüger, J., Gesing, S., Herres-Pawlis, S., Hoffmann, A., Aguilera, A. and Nagel, W.E. (2015)
Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery
e-Science (e-Science), 2015 IEEE 11th International Conference on, pp.371-380, Aug. 31 2015-Sept. 4 2015. doi: 10.1109/eScience.2015.72
[67]Hazekamp, N., Sarro, J., Choudhury, O., Gesing, S., Scott Emrich and Thain, D. (2015)
Scaling Up Bioinformatics Workflows with Dynamic Job Expansion: A Case Study Using Galaxy and Makeflow
e-Science (e-Science), 2015 IEEE 11th International Conference on, pp.332-341, Aug. 31 2015-Sept. 4 2015. doi: 10.1109/eScience.2015.39
[66]Choudhury, O., Rajan, D., Hazekamp, N., Gesing, S., Thain, D., and Emrich, S. (2015)
Balancing Thread-level and Task-level Parallelism for Data-Intensive Workloads on Clusters and Clouds
Cluster Computing (CLUSTER), 2015 IEEE International Conference on, pp.390-393, 8-11 Sept. 2015. doi:10.1109/CLUSTER.2015.60
[65]Gesing, S. (2015)
Developing Science Gateways: Current Solutions and Future Challenges
IWSG-A (International Workshop on Science Gateways - Australia), 19 Oct, 2015, Brisbane, Australia
[64]Gesing, S., Dooley, R., Pierce, M., Krüger, J., Grunzke, R., Herres-Pawlis, S., and Hoffmann, A. (2015)
Science Gateways - Leveraging Modeling and Simulations in HPC Infrastructures via Increased Usability
High Performance Computing & Simulation (HPCS), 2015 International Conference on, pp.19-26, 20-24 July 2015, doi: 10.1109/HPCSim.2015.7237017
[63]Gesing, S., Krüger, J., Grunzke, R., Herres-Pawlis, S., and Hoffmann, A. (2015)
Challenges and Modifications for Creating a MoSGrid Science Gateway for US and European Infrastructures
Science Gateways (IWSG), 2015 7th International Workshop on, pp.73-79, 3-5 June 2015, IEEE Xplore, doi: 10.1109/IWSG.2015.10
[62]Herres-Pawlis, S., Hoffmann, A., Rösener, T., Krüger, J., Grunzke, R., and Gesing, S. (2015)
Multi-layer Meta-metaworkflows for the Evaluation of Solvent and Dispersion Effects in Transition Metal Systems Using the MoSGrid Science Gateways
Science Gateways (IWSG), 2015 7th International Workshop on, pp.47-52, 3-5 June 2015, IEEE Xplore, doi: 10.1109/IWSG.2015.13
[61]Pierantoni, G. and Gesing, S. (2015)
Editorial: Science Gateways - Theoretical Approaches, Cutting-Edge Developments and Versatile Use Cases
Science Gateways (IWSG), 2015 7th International Workshop on, pp. vii-viii, IEEE Xplore
[60]Samual, T.K., Wan, S., Conveney, P.V., Riedel, M., Memon, S., Gesing, S., and Wilkins-Diehr, N. (2015)
Overview of XSEDE-PRACE Collaborative Projects in 2014
In Proceedings of the 2015 XSEDE Conference: Scientific Advancements Enabled by Enhanced Cyberinfrastructure (XSEDE '15). ACM, New York, NY, USA, , Article 24 , 8 pages. DOI=10.1145/2792745.2792769
[59]Lengauer, C., Bouge, L., Silva, F., Li, Z., Li, K., Gesing, S. and Wilkins-Diehr, S. (eds.) (2015)
Special Issue: Combined Special Issues on EuroPar 2014, Recent advances in parallel computing and distributed network (U-Science 2014) and Science gateway workshops (SGW 2014)
Concurrency Computation: Practice and Experience, 27(16):4073–4490
[58]Carretero, J., Garcia-Blas, J., and Gesing, S. (eds.) (2015)
Special Issue on Cloud for Health
Scalable Computing: Practice and Experience, Vol. 16, No 1 (2015)
[57]Wilkins-Diehr, N., Gesing, S., and Kiss, T. (eds.) (2015)
Special Issue on Science Gateway Workshops 2013 (SGW 2013)
Concurrency Computation: Practice and Experience, 27(2):253–506
[56]Pierantoni, G. and Gesing, S. (eds.) (2015)
7th International Workshop on Science Gateways (IWSG), 2015
IEEE Xplore
[55]Hoffmann, A., Krüger, J., Grunzke, R., Packschies, L., Gesing, S. and Herres-Pawlis, S. (2015)
Quantum Chemical Workflows in the MoSGrid Science Gateway
10th European Conference on Computational Chemistry, Fulda, Germany

2014
[54]Giraldo-Calderon, G., Emrich, S., MacCallum, R., Maslen, G., Dialynas, E., Topalis, P., Ho, N., Gesing, S., the VectorBase Consortium, Madey, G., Collins, F., and Lawson, D. (2014)
VectorBase: an updated bioinformatics resource for invertebrate vectors of human pathogens
Nucleic Acids Research, doi:10.1093/nar/gku1117
[53]Merelli, I., Pérez-Sánchez, H., Gesing, S. and D'Agostino, D. (2014)
Managing, Analysing and Integrating Big Data in Medical Bioinformatics: Open Problems and Future Perspectives
BioMed Research International, Volume 2014 (2014), Article ID 134023, 13 pages,
doi:10.1155/2014/134023
[52]Krüger, J., Grunzke, R., Herres-Pawlis, S., Hoffmann, A., de la Garza, L., Kohlbacher, O., Nagel, W.E., and Gesing, S. (2014)
Performance Studies on Distributed Virtual Screening
BioMed Research International, vol. 2014, Article ID 624024, 7 pages, doi:10.1155/2014/624024
[51]Merelli, I., Pérez-Sánchez, H., Gesing, S., and D'Agostino, D. (2014)
Latest advances in distributed, parallel, and graphic processing unit accelerated approaches to computational biology
Concurrency and Computation: Practice and Experience, 26(10): 1699–1704.
[50]Grunzke, R., Breuers, S., Gesing, S., Herres-Pawlis, S., Kruse, M., Blunk, D., de la Garza, L., Packschies, L., Schäfer, P., Schärfe, C., Schlemmer, T., Steinke, T., Schuller, B., Müller-Pfefferkorn, R., Nagel, W., Atkinson, M., and Krüger, J. (2014)
Standards-based Metadata Management for Molecular Simulations
Concurrency and Computation: Practice and Experience, 26(10): 1744–1759.
[49]Krüger, J.*, Grunzke, R.*, Gesing, S.*, Breuers, S., Brinkmann, A., de la Garza, L., Kohlbacher, O., Kruse, M., Nagel, W.E., Packschies, L., Müller-Pfefferkorn, R., Schäfer, P., Schärfe, C., Steinke, T., Schlemmer, T., Warzecha, K., Zink, A., and Herres-Pawlis, S. (2014)
The MoSGrid Science Gateway – A Complete Solution for Molecular Simulations
Journal of Chemical Theory and Computation, 10(6): 2232–2245, DOI: 10.1021/ct500159h
[48]Gesing, S., Nabrzyski, J., and Jha, S. (2014)
Gateways to High-Performance and Distributed Computing Resources for Global Health Challenges
Humanitarian Technology Conference - (IHTC), 2014 IEEE Canada International, pp.1,5, 1-4 June 2014, doi: 10.1109/IHTC.2014.7147530
[47]Mazurek, C., Pukacki, J., Kosiedowski, M., Trocha, S., Darbari, H., Saxena, A., Joshi, R., Brenner, P., Gesing, S., Nabrzyski, J., Sullivan, M., Dubhashi, D., Thankaswamy, S., and Srivastava, A. (2014)
Federated Clouds for Biomedical Research: Integrating OpenStack for ICTBioMed
Cloud Networking (CloudNet), 2014 IEEE 3rd International Conference on, pp.294-299, 8-10 Oct. 2014, doi: 10.1109/CloudNet.2014.6969011
[46]Hayashi, S., Gesing, S., Quick, R., Teige, S., Ganote, C., Wu, L., and Prout, E. (2014)
Galaxy based BLAST submission to distributed national high throughput computing resources
Proceedings of Science, PoS(ISGC2014)025
[45]Gesing, S., Atkinson, M., Filgueira, R., Taylor, I., Jones, A., Stankovski, V., Liew, C., Spinuso, A., Terstyanszky, G., and Kacsuk, P. (2014)
Workflows in a Dashboard: A New Generation of Usability
In: Proceedings of the 9th Workshop on Workflows in Support of Large-Scale Science, pp. 82-93, November 2014, New Orleans, LA, USA
[44]Nabrzyski, J., Liu, C., Vardeman, C., Gesing, S., and Budhatoki, M. (2014)
Agriculture Data for All: Integrated Tools for Agriculture Data Integration, Analytics and Sharing
Big Data (BigData Congress), 2014 IEEE International Congress on, pp.774-775,
doi: 10.1109/BigData.Congress.2014.117
[43]Herres-Pawlis, S., Hoffmann, A., de la Garza, L., Krüger, J., Grunzke, R., Gesing, S., Weingarten, N., and Terstyansky, G. (2014)
Meta-metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway
Science Gateways (IWSG), 2014 6th International Workshop on, pp. 73-78, IEEE Xplore
[42]Gesing, S., Kiss, T. and Pierantoni, G. (2014)
Editorial: Science Gateways Applying Clouds, Grids and HPC
Science Gateways (IWSG), 2014 6th International Workshop on, pp. vii-ix, IEEE Xplore
[41]Hazekamp, N., Choudhury, O., Gesing, S., Thain, D., and Emrich, S. (2014)
Expanding Tasks of Logical Workflows into Independent Workflows for Improved Scalability
Cluster, Cloud and Grid Computing (CCGrid), 2014 14th IEEE/ACM International Symposium on, pp. 548-549, doi: 10.1109/CCGrid.2014.84
[40]Grunzke, R., Jäkel, R., Nagel, W.E. and Gesing, S.(2014)
Towards Generic Metadata Management in Distributed Science Gateway Infrastructures
Cluster, Cloud and Grid Computing (CCGrid), 2014 14th IEEE/ACM International Symposium on, pp. 566-570, doi: 10.1109/CCGrid.2014.98
[39]Grunzke, R., Gesing, S., de la Garza, L., Hoffmann, A., Herres-Pawlis, S., and Krüger, J. (2014)
Improved Resilience and Usability for Science Gateway Infrastructures via Integrated Virtual Organizations
In: EGI Community Forum 2014, Helsinki, Finland, May 2014
[38]Grunzke, R., Hesser, J., Starek, J., Kepper, N., Gesing, S., Hardt, M., Hartmann, V., Kindermann, S., Potthoff, J., Hausmann, M., Müller-Pfefferkorn, R., and Jäkel, R. (2014)
Device-driven Metadata Management Solutions for Scientific Big Data Use Cases
Parallel, Distributed and Network-Based Processing (PDP), 2014 22nd Euromicro International Conference on , pp.317-321, 12-14 Feb. 2014, doi: 10.1109/PDP.2014.119
[37]Kofler, K., Davis, G., and Gesing, S. (2014)
SAMPO: An Agent-based Mosquito Point Model in OpenCL
Agent-Directed Simulation Symposium (ADS 2014), Simulation Series Vol 46 #1, pp. 36-45, Curran Associates, Inc., ISBN 9781629939469
[36]Gesing, S., Krüger, J., Grunzke, R., de la Garza, L., Herres-Pawlis, S., and Hoffmann, A. (2014)
Molecular Simulation Grid (MoSGrid): A Science Gateway Tailored to the Molecular Simulation Community
In: Science Gateways for Distributed Computing Infrastructures, pp. 151-165, ISBN 978-3-319-11267-1, Springer International Publishing
[35]Merelli, I., Pérez-Sánchez, H., Gesing, S. and D'Agostino, D. (eds.) (2014)
High-Performance Computing and Big Data in Omics-based Medicine
Special issue in BioMed Research International 2014
[34]Merelli, I., Pérez-Sánchez, H., Gesing, S., and D'Agostino, D. (eds.) (2014)
Special issue on COMPBIO 2013
Concurrency and Computation: Practice and Experience, 26(10): 1699–1846.
[33]Gesing, S. and Kiss, T. (eds.) (2014)
6th International Workshop on Science Gateways (IWSG), 2014
IEEE Xplore

2013
[32]Gesing, S., Atkinson, M., Klampanos, I., Galea, M., Berthold, M. R., Barbera, R., Scardaci, D., Terstyanszky, G., Kiss, T., and Kacsuk, P. (2013)
The Demand for Consistent Web-Based Workflow Editors
In: Proceedings of the 8th Workshop on Workflows in Support of Large-Scale Science, pp. 112-123, November 17-22, 2013, Denver, CO, USA, ISBN 978-1-4503-2502-8.
[31]Herres-Pawlis, S., Hoffmann, A., Gesing, S., de la Garza, L., Krüger, J. and Grunzke, R. (2013)
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
[30]Herres-Pawlis, S., Balasko, A., Birkenheuer, G., Brinkmann, A., Gesing, S., Grunzke, R., Hoffmann, A., Kacsuk, P., Krüger, J., Packschies, L., Terstyansky, G., and Weingarten, N. (2013)
User-friendly workflows in quantum chemistry
Proc. of 5th Workshop IWSG 2013, June 3-5 2013, Zurich, Switzerland, CEUR Workshop Proceedings, ISSN 1613-0073, 2013.
[29]Packschies, L., Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., de la Garza, L., dos Santos Vieira, I., Fels, G., Gesing, S., Grunzke, R., Herres-Pawlis, S., Kohlbacher, O., Krüger, J., Kruse, M., Lang, U., Müller-Pfefferkorn, R., Schäfer, P., Schlemmer, T., Schärfe, C., Steinke, T., Warzecha, K., and Zink, A. (2013)
The MoSGrid-e-Science Gateway: Molecular Simulations in a Distributed Computing Environment
Journal of Cheminformatics 2013, 5(Suppl 1):O3, doi:10.1186/1758-2946-5-S1-O3
[28]Gesing, S. (2013)
Web-based Science Gateways for Structural Bioinformatics
PhD thesis, University of Tübingen

2012
[27]Gesing, S.*, Grunzke, R.*, Krüger, J., Birkenheuer, G., Wewior, M., Schäfer, P., Schuller, B., Schuster, J., Herres-Pawlis, S., Breuers, S., Balasko, A., Kozlovszky, M., Szikszay Fabri, A., Packschies, L., Kacsuk, P., Blunk, D., Steinke, T., Brinkmann, A., Fels, G., Müller-Pfefferkorn, R., Jäkel, R., and Kohlbacher, O. (2012)
A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics
Journal of Grid Computing, 10(4):769-790.
[26]Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., dos Santos Vieira, I., Fels, G., Gesing, S., Grunzke, R., Herres-Pawlis, S., Kohlbacher, O., Krüger, J., Lang, U., Packschies, L., Müller-Pfefferkorn, R., Schäfer, P., Steinke, T., Warzecha K., and Wewior, M. (2012).
MoSGrid: Efficient Data Management and a Standardized Data Exchange Format for Molecular Simulations in a Grid Environment
Journal of Cheminformatics 2012, 4(Suppl 1):P21, doi:10.1186/1758-2946-4-S1-P21
[25]Gesing, S., Herres-Pawlis, S., Birkenheuer, G., Brinkmann, A., Grunzke, R., Kacsuk, P., Kohlbacher, O., Kozlovszky, M., Krüger, J., Müller-Pfefferkorn, R., Schäfer, P., and Steinke, T. (2012)
A Science Gateway Getting Ready for Serving the International Molecular Simulation Community
Proceedings of Science, PoS(EGICF12-EMITC2)050
[24]Grunzke, R., Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., Gesing, S., Herres-Pawlis, S., Kohlbacher, O., Krüger, J., Kruse, M., Müller-Pfefferkorn, R., Schäfer, P., Schuller, B., Steinke, T., and Zink, A. (2012)
A Data Driven Science Gateway for Computational Workflows
In: UNICORE Summit 2012, Dresden, Germany, May 2012, IAS Series Vol.15, p. 35-49.
[23]Schlemmer, T.*, Grunzke, R.*, Gesing, S.*, Krüger, J., Birkenheuer, G., Müller-Pfefferkorn, R., and Kohlbacher, O. (2012)
Generic User Management for Science Gateways via Virtual Organizations
In: EGI Technical Forum 2012, Prague, Czech Republic, September 2012.
[22]Herres-Pawlis, S., Birkenheuer, G., Brinkmann, A., Gesing, S., Grunzke, R., Jäkel, R., Kohlbacher, O., Krüger, J., and Dos Santos Vieira, I. (2012)
Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway
Studies in Health Technology and Informatics, 175:142-151, IOS Press.
[21]Gesing, S. and Krüger, J. (2012)
Workshop Series IWSG-Life
Studies in Health Technology and Informatics, 175:115-118, IOS Press.
[20]Gesing, S., Herres-Pawlis, S., Birkenheuer, G., Brinkmann, A., Grunzke, R., Kacsuk, P., Kohlbacher, O., Kozlovszky, M., Krüger, J., Müller-Pfefferkorn, R., Schäfer, P., and Steinke, T. (2012)
The MoSGrid Community - From National to International Scale
In: EGI Community Forum 2012, Munich, Germany, March 2012.
[19]Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., Fels, G., Gesing, S., Grunzke, R., Herres-Pawlis, S., Kohlbacher, O., Krüger, J., Lang, U., Packschies, L., Müller-Pfefferkorn, R., Schäfer, P., Schuster, J., Steinke, T., Warzecha, K., and Wewior, M. (2012)
MoSGrid: Progress of Workflow driven Chemical Simulations
Proc. of Grid Workflow Workshop 2011, Cologne, Germany, March 4, 2011, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-826/paper02.pdf
[18]Gesing, S., Glatard, T., Krüger, J., Delgado Olabarriaga, S., Solomonides, T., Silverstein, J., Montagnat, J., Gaignard, A., and Krefting, D. (eds.) (2012)
HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences
Studies in Health Technology and Informatics, Volume 175, IOS Press.

2011
[17]Gesing, S., Hemert, J. v., Kacsuk, P. and Kohlbacher, O. (2011)
Special Issue: Portals for life sciences—Providing intuitive access to bioinformatic tools.
Concurrency and Computation: Practice and Experience, 23: 223–234. DOI: http://dx.doi.org/10.1002/cpe.1687
[16]Krüger, J., Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., Fels, G., Gesing, S., Grunzke, R., Kohlbacher, O., Kruber, N., Lang, U., Packschies, L., Müller-Pfefferkorn, R., Herres-Pawlis, S., Schäfer, P., Schmalz, H., Steinke, T., Warzecha, K., and Wewior, M. (2011).
Molecular simulation grid.
Journal of Cheminformatics 2011, 3(Suppl 1):O17, doi:10.1186/1758-2946-3-S1-O17
[15]Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., dos Santos Vieira, I., Fels, G., Gesing, S., Grunzke, R., Herres-Pawlis, S., Kohlbacher, O., Krüger, J., Lang, U., Packschies, L., Müller-Pfefferkorn, R., Schäfer, P., Schmalz, H., Steinke, T., Warzecha, K., and Wewior, M. (2011).
A Molecular Simulation Grid as new tool for Computational Chemistry, Biology and Material Science.
Journal of Cheminformatics 2011, 3(Suppl 1):P14, doi:10.1186/1758-2946-3-S1-P14
[14]Gesing, S.*, Grunzke, R.*, Balasko, A., Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., Fels, G., Herres-Pawlis, S., Kacsuk, P., Kozlovszky, M., Krüger, J., Packschies, L., Schäfer, P., Schuller, B., Schuster, J., Steinke, T., Szikszay Fabri, A., Wewior, M., Müller-Pfefferkorn, R., and Kohlbacher, O. (2011).
Granular Security for a Science Gateway in Structural Bioinformatics
Proc. 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.
[13]Gesing, S., Kacsuk, P., Kozlovszky, M., Birkenheuer, G., Blunk, D., Breuers, S., Brinkmann, A., Fels, G., Grunzke, R., Herres-Pawlis, S., Krüger, J., Packschies, L., Müller-Pfefferkorn, R., Schäfer, P., Steinke, T., Szikszay Fabri, A., Warzecha, K., Wewior, M., and Kohlbacher, O. (2011)
A Science Gateway for Molecular Simulations.
In: EGI User Forum 2011, Book of Abstracts, pp. 94--95, ISBN 978 90 816927 1 7.
[12]Gesing, S. and van Hemert, J.I. (eds.) (2011)
Special Issue: IWPLS 2009
Concurrency and Computation: Practice and Experience, 23: 223–291.

2010
[11]Gesing, S, van Hemert, J.I., Koetsier, J., Bertsch, A, and Kohlbacher, O (2010)
TOPP goes Rapid—The OpenMS Proteomics Pipeline in a Grid-enabled Web Portal
CCGrid, pp.598-599, 2010 10th IEEE/ACM International Conference on Cluster, Cloud and Grid Computing, 2010. DOI: http://doi.ieeecomputersociety.org/10.1109/CCGRID.2010.39
[10]Gesing, S., Marton, I., Birkenheuer, G., Schuller, B., Grunzke, R., Krüger, J., Breuers, S., Blunk, D., Fels, G., Packschies, L., Brinkmann, A., Kohlbacher, O., and Kozlovszky, M. (2010)
Workflow Interoperability in a Grid Portal for Molecular Simulations
In: Proceedings of the International Workshop on Science Gateways (IWSG2010), pp. 44-48, Consorzio COMETA, ISBN: 978-88-95892-03-0.
[9]Wewior, M., Packschies, L., Blunk, D., Wickeroth, D., Warzecha, K., Herres-Pawlis, S., Gesing, S., Breuers, S., Krüger, J., Birkenheuer, G., and Lang, U.(2010)
The MoSGrid Gaussian portlet -- Technologies for Implementation of Portlets for Molecular Simulations
In: Proceedings of the International Workshop on Science Gateways (IWSG2010), pp. 39-43, Consorzio COMETA, ISBN: 978-88-95892-03-0.
[8]Krüger, J., Birkenheuer, G., Breuers, S., Gesing, S., Wewior, M., Brinkmann, A., Blunk, D., Kohlbacher, O., Packschies, L., and Fels, G. (2010)
Workflows and Analysis Approaches for Molecular Dynamics Simulations
In: Proceedings of the International Workshop on Science Gateways (IWSG2010), pp. 61, Consorzio COMETA, ISBN: 978-88-95892-03-0.
[7]Birkenheuer, G, Breuers, S, Brinkmann, A, Blunk, D, Fels, G, Gesing, S, Herres-Pawlis, S, Kohlbacher, O, Krüger, J, and Packschies, L (2010)
Grid-Workflows in Molecular Science
Software Engineering 2010, Grid Workflow Workshop, pp. 177-184, GI-Edition - Lecture Notes in Informatics (LNI), P-160, ISSN 1617-5468, 2010.

2009
[6]Schneeberger, K.*, Hagmann, J.*, Ossowski, S.*, Warthmann, N., Gesing, S., Kohlbacher, O., and Weigel, D. (2009).
Simultaneous alignment of short reads against multiple genomes

Genome Biology, 10(9):R98.
[5]Gesing, S, Kohlbacher, O, and van Hemert, J.I. (2009)
Portals for Life Sciences - a Brief Introduction
Proc. of 1st Workshop IWPLS'09, Edinburgh, UK, September 14-15, 2009, CEUR Workshop Proceedings, ISSN 1613-0073, online CEUR-WS.org/Vol-513/paper01.pdf
[4]Gesing, S. and van Hemert, J.I. (eds.) (2009)
Proceedings of the International Workshop on Portals for Life Sciences 2009 (IWPLS'09)
CEUR Workshop Proceedings, ISSN 1613-0073.

2007
[3]Gesing, S. and Kohlbacher, O. (2007).
Generic Portlets for Bioinformatics in a Grid Infrastructure.
ISMB 2007, Vienna, Austria

2006
[2]Quenzer, M., Gesing, S., and Kohlbacher, O. (2006).
A Workflow enabled Portal for Bioinformatics in a Grid infrastructure.
GCB 2006, Tübingen, Germany

2005
[1]Gesing, S. (2005)
Approximation von Punktmengen durch Kreise
(Abstract: Approximating a set of points by circles)
Diploma thesis, FernUniversität Hagen

[accepted] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2009] [2007] [2006] [2005]

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