Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search. - Stephanie Wills; Ruben Sanchez-Garcia; Tim Dudgeon; Stephen D. Roughley; Andy Merritt; Roderick E. Hubbard; James Davidson; Frank von Delft; Charlotte M. Deane (J. Chem. Inf. Model., 2023)

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