TIN - A Combinatorial Compound Collection of Synthetically Feasible Multicomponent Synthesis Products. - Kristl V. Dorschner; David Toomey; Marian P. Brennan; Tim Heinemann; Fergal J. Duffy; Kevin B. Nolan; Dermot Cox; Mauro Adamo; Anthony J. Chubb (J. Chem. Inf. Model., 2011)

CycloPs: Generating Virtual Libraries of Cyclized and Constrained Peptides Including Nonnatural Amino Acids. - Fergal J. Duffy; Mélanie Verniere; Marc Devocelle; Elise Bernard; Denis C. Shields; Anthony J. Chubb (J. Chem. Inf. Model., 2011)

Computational survey of peptides derived from disulphide-bonded protein loops that may serve as mediators of protein-protein interactions. - Fergal J. Duffy; Marc Devocelle; David R. Croucher; Denis C. Shields (BMC Bioinform., 2014)

GlycoProfileAssigner: automated structural assignment with error estimation for glycan LC data. - Fergal J. Duffy; Pauline M. Rudd (Bioinform., 2015)

Virtual Screening Using Combinatorial Cyclic Peptide Libraries Reveals Protein Interfaces Readily Targetable by Cyclic Peptides. - Fergal J. Duffy; Darragh O'Donovan; Marc Devocelle; Niamh Moran; David J. O'Connell; Denis C. Shields (J. Chem. Inf. Model., 2015)