SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.
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| Title: | SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. |
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| Authors: | Hönig, Sophia M. N.1,2, Flachsenberg, Florian1, Ehrt, Christiane2, Neumann, Alexander1, Schmidt, Robert1, Lemmen, Christian1, christian.lemmen@biosolveit.de, Rarey, Matthias2, matthias.rarey@uni-hamburg.de |
| Source: | Journal of Computer-Aided Molecular Design; Dec2024, Vol. 38 Issue 1, p1-17, 17p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-024-00551-7 |
