SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces
Hönig, Sophia M. N. ; Flachsenberg, Florian ; Ehrt, Christiane ; Neumann, Alexander ; Schmidt, Robert ; Lemmen, Christian ; Rarey, Matthias
Journal of computer-aided molecular design, 2024-12, Vol.38 (1), p.13-13, Article 13 [Revista revisada por pares]Cham: Springer International Publishing
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