"Fragmenstein: predicting protein-ligand structures of compounds derived ..."

Matteo P. Ferla et al. (2025)

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DOI: 10.1186/S13321-025-00946-0

access: open

type: Journal Article

metadata version: 2025-01-27

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Matteo P. Ferla, Ruben Sanchez-Garcia, Rachael Skyner, Stefan Gahbauer, Jenny C. Taylor, Frank von Delft, Brian D. Marsden, Charlotte M. Deane:
Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology. J. Cheminformatics 17(1): 4 (2025)

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