Characterising the geometric diversity of functional groups in chemical databases. - Susan M. Boyd; Martin Beverley; Leif Norskov; Roderick E. Hubbard (J. Comput. Aided Mol. Des., 1995)

Making Decisions for Structural Genomics. - Ana P. C. Rodrigues; Roderick E. Hubbard (Briefings Bioinform., 2003)

Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets. - Nicolas Baurin; Fareed Aboul-Ela; Xavier Barril; Ben Davis; Martin Drysdale; Brian Dymock; Harry Finch; Christophe Fromont; Christine M. Richardson; Heather Simmonite; Roderick E. Hubbard (J. Chem. Inf. Model., 2004)

Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds. - Nicolas Baurin; R. Baker; Christine M. Richardson; I-Jen Chen; Nicolas Foloppe; Andrew Potter; A. Jordan; Stephen D. Roughley; Martin J. Parratt; P. Greaney; D. Morley; Roderick E. Hubbard (J. Chem. Inf. Model., 2004)

sgTarget: a target selection resource for structural genomics. - Ana P. C. Rodrigues; Barry J. Grant; Roderick E. Hubbard (Nucleic Acids Res., 2006)

Lessons for fragment library design: analysis of output from multiple screening campaigns. - I-Jen Chen; Roderick E. Hubbard (J. Comput. Aided Mol. Des., 2009)

Design of a Fragment Library that maximally represents available chemical space. - M. N. Schulz; J. Landström; K. Bright; Roderick E. Hubbard (J. Comput. Aided Mol. Des., 2011)

Predicting Fragment Binding Poses Using a Combined MCSS MM-GBSA Approach. - Muhammad K. Haider; Hugues-Olivier Bertrand; Roderick E. Hubbard (J. Chem. Inf. Model., 2011)

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. - Sergio Ruiz-Carmona; Daniel Alvarez-Garcia; Nicolas Foloppe; A. Beatriz Garmendia-Doval; Szilveszter Juhos; Peter Schmidtke; Xavier Barril; Roderick E. Hubbard; S. David Morley (PLoS Comput. Biol., 2014)

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)