Richard Grunzke
Richard Grunzke
Technische Universität Dresden, Center for Information Services and High Performance Computing
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The MoSGrid science gateway–a complete solution for molecular simulations
J Krüger, R Grunzke, S Gesing, S Breuers, A Brinkmann, L de la Garza, ...
Journal of Chemical Theory and Computation 10 (6), 2232-2245, 2014
A single sign-on infrastructure for science gateways on a use case for structural bioinformatics
S Gesing, R Grunzke, J Krüger, G Birkenheuer, M Wewior, P Schäfer, ...
Journal of Grid Computing 10 (4), 769-790, 2012
Insights into the influence of dispersion correction in the theoretical treatment of guanidine‐quinoline copper (I) complexes
A Hoffmann, R Grunzke, S Herres‐Pawlis
Journal of Computational Chemistry 35 (27), 1943-1950, 2014
Standards‐based metadata management for molecular simulations
R Grunzke, S Breuers, S Gesing, S Herres‐Pawlis, M Kruse, D Blunk, ...
Concurrency and Computation: Practice and Experience 26 (10), 1744-1759, 2014
UNICORE 7—Middleware services for distributed and federated computing
K Benedyczak, B Schuller, M Petrova-El Sayed, J Rybicki, R Grunzke
2016 International Conference on High Performance Computing & Simulation …, 2016
Quantum chemical meta‐workflows in MoSGrid
S Herres‐Pawlis, A Hoffmann, Á Balaskó, P Kacsuk, G Birkenheuer, ...
Concurrency and Computation: Practice and Experience 27 (2), 344-357, 2015
Copper Guanidinoquinoline Complexes as Entatic State Models of Electron‐Transfer Proteins
J Stanek, N Sackers, F Fink, M Paul, L Peters, R Grunzke, A Hoffmann, ...
Chemistry–A European Journal 23 (62), 15738-15745, 2017
The MASi repository service—Comprehensive, metadata-driven and multi-community research data management
R Grunzke, V Hartmann, T Jejkal, H Kollai, A Prabhune, H Herold, ...
Future Generation Computer Systems 94, 879-894, 2019
Managing complexity in distributed Data Life Cycles enhancing scientific discovery
R Grunzke, A Aguilera, WE Nagel, J Krüger, S Herres-Pawlis, A Hoffmann, ...
2015 IEEE 11th International Conference on e-Science, 371-380, 2015
Using science gateways for bridging the differences between research infrastructures
S Gesing, J Krüger, R Grunzke, S Herres-Pawlis, A Hoffmann
Journal of Grid Computing 14 (4), 545-557, 2016
Gathering requirements for advancing simulations in HPC infrastructures via science gateways
S Gesing, R Dooley, M Pierce, J Krüger, R Grunzke, S Herres-Pawlis, ...
Future Generation Computer Systems 82, 544-554, 2018
Challenges in creating a sustainable generic research data infrastructure
R Grunzke, T Adolph, C Biardzki, A Bode, T Borst, HJ Bungartz, A Busch, ...
Softwaretechnik-Trends 37 (2), 74-77, 2017
Device-driven metadata management solutions for scientific big data use cases
R Grunzke, J Hesser, J Starek, N Kepper, S Gesing, M Hardt, V Hartmann, ...
2014 22nd Euromicro International Conference on Parallel, Distributed, and …, 2014
A Data Driven Science Gateway for Computational Workflows
R Grunzke, G Birkenheuer, D Blunk, S Breuers, A Brinkmann, S Gesing, ...
UNICORE Summit 2012 Proceedings, 35-49, 2012
Performance studies on distributed virtual screening
J Krüger, R Grunzke, S Herres-Pawlis, A Hoffmann, L de la Garza, ...
BioMed Research International 2014, 2014
Data oriented processing in UNICORE
B Schuller, R Grunzke, A Giesler
UNICORE Summit, 1-6, 2013
User-friendly workflows in quantum chemistry
S Herres-Pawlis, A Hoffmann, A Balasko, P Kacsuk, G Birkenheuer, ...
Granular security for a science gateway in structural bioinformatics
S Gesing, R Grunzke, A Balasko, G Birkenheuer, D Blunk, S Breuers, ...
University of Westminster, 2011
Portals and web-based resources for virtual screening
J Krueger, P Thiel, I Merelli, R Grunzke, S Gesing
Current Drug Targets 17 (14), 1649-1660, 2016
Seamless HPC integration of data-intensive KNIME workflows via UNICORE
R Grunzke, F Jug, B Schuller, R Jäkel, G Myers, WE Nagel
European Conference on Parallel Processing, 480-491, 2016
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