Journals

[accepted] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2009]

*These authors contributed equally to the respective work.

accepted
[J27]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

2017
[J26]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

2016
[J25]Gesing, S., Wilkins-Diehr, N., Barker, M. and Pierantoni, G. (2016)
Science Gateway Workshops 2015 Special Issue Conference Publications
Journal of Grid Computing, 14(4):495-498, 2016, doi:10.1007/s10723-016-9389-4
[J24]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, 14(4):545-557, 2016, doi:10.1007/s10723-016-9385-8
[J23]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
[J22]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
[J21]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
[J20]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
[J19]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
[J18]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

2015
[J17]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
[J16]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)
[J15]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
[J14]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

2014
[J13]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
[J12]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
[J11]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
[J10]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.
[J9]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.
[J8]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

2013
[J7]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

2012
[J6]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.
[J5]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

2011
[J4]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
[J3]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
[J2]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

2009
[J1]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.

[accepted] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2009]

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