DOI: 10.1007/978-3-540-78474-6_12. Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology

Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology

10.1007/978-3-540-78474-6_12

Crossref book-chapter

Springer Berlin Heidelberg

Lecture Notes in Computer Science (297)

Bibliography

Schuller, B., Demuth, B., Mix, H., Rasch, K., Romberg, M., Sild, S., Maran, U., BaÅa, P., del Grosso, E., Casalegno, M., Piclin, N., Pintore, M., Sudholt, W., & Baldridge, K. K. (2008). Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology. Euro-Par 2007 Workshops: Parallel Processing, 82â93.

Authors 14

Bernd Schuller (first)
Bastian Demuth (additional)
Hartmut Mix (additional)
Katharina Rasch (additional)
Mathilde Romberg (additional)
Sulev Sild (additional)
Uko Maran (additional)
Piotr Bała (additional)
Enrico del Grosso (additional)
Mosé Casalegno (additional)
Nadège Piclin (additional)
Marco Pintore (additional)
Wibke Sudholt (additional)
Kim K. Baldridge (additional)

References 30 Referenced 21

Chemomentum: Grid-Services based Environment for enabling Innovative Research, http://www.chemomentum.org
REGULATION (EC) No 1907/2006 OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC
OpenMolGRID: Website, http://www.openmolgrid.org
Sild, S., Maran, U., Lomaka, A., Karelson, M.: Open Computing Grid for Molecular Science and Engineering. J. Chem. Inf. Model 46, 953–959 (2006) (10.1021/ci050354f) / J. Chem. Inf. Model by S. Sild (2006)
EUROGRID: Website, www.eurogrid.org
Gemstone: Website, http://gemstone.mozdev.org
Benfenati, E. (ed.): Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes. Elsevier, Amsterdam (2007) / Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes (2007)
UNICORE: Website, http://www.unicore.eu
Sild, S., Maran, U., Romberg, M., Schuller, B., Benfenati, E.: OpenMolGRID: Using Automated Workflows in GRID Computing Environment. In: Sloot, P.M.A., Hoekstra, A.G., Priol, T., Reinefeld, A., Bubak, M. (eds.) EGC 2005. LNCS, vol. 3470, pp. 464–473. Springer, Heidelberg (2005) (10.1007/11508380_48) / Advances in Grid Computing - EGC 2005 / Lecture Notes in Computer Science by S. Sild (2005)
Maran, U., Sild, S., Kahn, I., Takkis, K.: Mining of the Chemical Information in GRID Environment. Future Gen. Comput. Syst. 23, 76–83 (2007) (10.1016/j.future.2006.04.018) / Future Gen. Comput. Syst. by U. Maran (2007)
Maran, U., Sild, S., Mazzatorta, P., Casalegno, M., Benfenati, E., Romberg, M.: Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas). In: Dubitzky, W., Schuster, A., Sloot, P.M.A., Schröder, M., Romberg, M. (eds.) GCCB 2006. LNCS (LNBI), vol. 4360, pp. 60–74. Springer, Heidelberg (2007) (10.1007/978-3-540-69968-2_6) / Distributed, High-Performance and Grid Computing in Computational Biology / Lecture Notes in Bioinformatics by U. Maran (2007)
Sudholt, W., Baldridge, K.K., Abramson, D., Enticott, C., Garic, S., Kondric, C., Nguyen, D.: Application of Grid Computing to Parameter Sweeps and Optimizations in Molecular Modeling. Future Gen. Comput. Syst. 21, 27–35 (2005) (10.1016/j.future.2004.09.010) / Future Gen. Comput. Syst. by W. Sudholt (2005)
Baldridge, K.K., Greenberg, J.P., Sudholt, W., Mock, S., Altintas, I., Amoreira, C., Potier, Y., Birnbaum, A., Bhatia, K., Taufer, M.: The Computational Chemistry Prototyping Environment. Proceedings of the IEEE 93, 510–521 (2005) (10.1109/JPROC.2004.842747) / Proceedings of the IEEE by K.K. Baldridge (2005)
Sudholt, W., Altintas, I., Baldridge, K.: Scientific Workflow Infrastructure for Computational Chemistry on the Grid. In: Alexandrov, V.N., et al. (eds.) ICCS 2006. LNCS, vol. 3993, pp. 69–76. Springer, Heidelberg (2006) (10.1007/11758532_11) / Computational Science – ICCS 2006 / Lecture Notes in Computer Science by W. Sudholt (2006)
COST Action D37 Grid Computing in Chemistry: GRIDCHEM, Working Group 0004 DeciQ
MOPAC: Website, http://www.openmopac.net
GAMESS: Website, www.msg.ameslab.gov/GAMESS/GAMESS.html
Docking@Home: Website, docking.utep.edu
AutoDock: Website, autodock.scripps.edu
Seebeck, F.P., Guainazzi, A., Amoreira, C., Baldridge, K.K., Hilvert, D.: Stereoselectivity and Expanded Substrate Scope of an Engineered PLP-dependent Aldolase. Angew. Chem. Int. Ed. 45, 6824–6826 (2006) (10.1002/anie.200602529) / Angew. Chem. Int. Ed. by F.P. Seebeck (2006)
GPE4GTK Project: Website, http://gpe4gtk.sourceforge.net
Borcz, M., Kluszczyński, R., Bała, P.: BLAST Application on the GPE/UnicoreGS Grid. In: Lehner, W., et al. (eds.) Euro-Par Workshops 2006. LNCS, vol. 4375, pp. 244–252. Springer, Heidelberg (2007) / Euro-Par 2006: Parallel Processing / Lecture Notes in Computer Science by M. Borcz (2007)
National Center for Biotechnology Information (NCBI), BLAST interface, http://www.ncbi.nlm.nih.gov/BLAST/
TXT e-solutions website, http://www.txt.it
Resource Description Framework, http://www.w3.org/RDF/
Steve Pepper, The TAO of Topic Maps, www.ontopia.net/topicmaps/materials/tao.html
Snelling, D.F., van den Berghe, S., Qian Li, V.: Explicit Trust Delegation: Security for Dynamic Grids. FUJITSU Sci. Tech. J. 40(2), 282–294 (2004) / FUJITSU Sci. Tech. J. by D.F. Snelling (2004)
Eclipse: Website, http://www.eclipse.org
Chemomentum Portal, Demo site, http://www.chemomentum.org/chemomentum/demo/
Shark Workflow Engine, shark.enhydra.org

Dates

Type	When
Created	17 years, 5 months ago (March 7, 2008, 9:30 p.m.)
Deposited	5 years, 3 months ago (May 19, 2020, 9:13 a.m.)
Indexed	5 months ago (March 27, 2025, 8:10 a.m.)
Issued	17 years, 8 months ago (Jan. 1, 2008)
Published	17 years, 8 months ago (Jan. 1, 2008)
Published Print	17 years, 8 months ago (Jan. 1, 2008)

Funders 0

None

BibTeX

@inbook{Schuller_2008, title={Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology}, ISBN={9783540784746}, ISSN={1611-3349}, url={http://dx.doi.org/10.1007/978-3-540-78474-6_12}, DOI={10.1007/978-3-540-78474-6_12}, booktitle={Euro-Par 2007 Workshops: Parallel Processing}, publisher={Springer Berlin Heidelberg}, author={Schuller, Bernd and Demuth, Bastian and Mix, Hartmut and Rasch, Katharina and Romberg, Mathilde and Sild, Sulev and Maran, Uko and Bała, Piotr and del Grosso, Enrico and Casalegno, Mosé and Piclin, Nadège and Pintore, Marco and Sudholt, Wibke and Baldridge, Kim K.}, year={2008}, pages={82–93} }

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