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Automated force field optimisation of small molecules using a gradient-based workflow package
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2010
Journal Article
Title
Automated force field optimisation of small molecules using a gradient-based workflow package
Author(s)
Hülsmann, M.
Müller, T.J.
Köddermann, T.
Reith, Dirk
Journal
Molecular simulation
DOI
10.1080/08927022.2010.513974
Language
English
Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI
