Shapelets: possibilities and limitations of shape-based virtual screening

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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Ewgenij Proschak1, Matthias Rupp, Swetlana Derksen

  • 1Johann Wolfgang Goethe-Universität, Beilstein Endowed Chair for Cheminformatics, Institut für Organische Chemie und Chemische Biologie, Siesmayerstr 70, D-60323, Frankfurt am Main, Germany.

Journal of Computational Chemistry
|May 23, 2007
PubMed

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