SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.

Autor: Hönig, Sophia M. N.1,2 (AUTHOR), Flachsenberg, Florian1 (AUTHOR), Ehrt, Christiane2 (AUTHOR), Neumann, Alexander1 (AUTHOR), Schmidt, Robert1 (AUTHOR), Lemmen, Christian1 (AUTHOR) christian.lemmen@biosolveit.de, Rarey, Matthias2 (AUTHOR) matthias.rarey@uni-hamburg.de
Zdroj: Journal of Computer-Aided Molecular Design. Dec2024, Vol. 38 Issue 1, p1-17. 17p.
Databáze: Academic Search Ultimate
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