Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays.
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| Title: | Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays. |
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| Authors: | Hönig, Sophia M. N.1,2, Gutermuth, Torben2, Ehrt, Christiane2, Lemmen, Christian1, Rarey, Matthias2, matthias.rarey@uni-hamburg.de |
| Source: | Journal of Computer-Aided Molecular Design; 2025, Vol. 39 Issue 1, p1-15, 15p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-024-00581-1 |
