SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces - researchr publication authors

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Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt 0002, Christian Lemmen, Matthias Rarey. SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. Journal of Computer-Aided Molecular Design, 38(1):13, December 2024. [doi]

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