Absolute Net Charge and the Biological Activity of Oligopeptides. - Laavanya Parthasarathi; Marc Devocelle; Chresten R. Søndergaard; Ivan Baran; Colm O'Dushlaine; Norman E. Davey; Richard J. Edwards; Niamh Moran; Dermot Kenny; Denis C. Shields (J. Chem. Inf. Model., 2006)

An Agent Based Approach to Modelling Microbial Ecosystems. - James T. Murphy; Ray Walshe; Marc Devocelle (ERCIM News, 2008)

High-Performance Computing for Modelling Bacterial Communities. - James T. Murphy; Ray Walshe; Marc Devocelle (ERCIM News, 2008)

Computational Modelling and the Pro-Drug Approach to Treating Antibiotic-Resistant Bacteria. - James T. Murphy; Ray Walshe; Marc Devocelle (ERCIM News, 2010)

A Computational Modelling Approach to Explore the Anti-microbial Pro-drug Delivery System. - James T. Murphy; Ray Walshe; Marc Devocelle (BIOINFORMATICS, 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)

A Theoretical Analysis of the Prodrug Delivery System for Treating Antibiotic-Resistant Bacteria. - James T. Murphy; Ray Walshe; Marc Devocelle (IEEE ACM Trans. Comput. Biol. Bioinform., 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)

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)