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A molecular fragment cheminformatics roadmap for mesoscopic simulation

Truszkowski, Andreas; Daniel, Mirco; Kuhn, Hubert; Neumann, Stefan; Steinbeck, Christoph; Zielesny, Achim; Epple, Matthias LSF

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Date Issued:
13.05.2016
URN:
urn:nbn:de:hbz:464-20160513-141429-9
DOI:
10.1186/s13321-014-0045-3
Language:
English
Type of Resource:
Text
Keywords:
Dissipative particle dynamics; Computer simulation; Molecular fragmentation; fSmiles; Fragment smiles; Molecular fragment cheminformatics; Molecular fragment dynamics; Mesoscopic simulation; Peptide representation; Protein representation
Collection:
Newly migrated
Dewey Decimal Classification:
540 Chemistry
Subject categories of the Deutsche Nationalbibliografie:
540 Chemistry & allied sciences
Hosting institution:
Faculty of Chemistry, Anorganische Chemie
Info on primary publication:
Journal of Cheminformatics 2014, 6:45; published: 4 October 2014

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Citation style:
Truszkowski, A., Daniel, M., Kuhn, H., Neumann, S., Steinbeck, C., Zielesny, A., Epple, M., 2016. A molecular fragment cheminformatics roadmap for mesoscopic simulation. https://doi.org/10.1186/s13321-014-0045-3
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