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)

2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database. - Nicolas Baurin; Jean-Christophe Mozziconacci; Eric Arnoult; Philippe Chavatte; Christophe Marot; Luc Morin-Allory (J. Chem. Inf. Model., 2004)

Large-Scale Comparison of Four Binding Site Detection Algorithms. - Peter Schmidtke; Catherine Souaille; Frédéric Estienne; Nicolas Baurin; Romano T. Kroemer (J. Chem. Inf. Model., 2010)

Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol. - Michael Oberlin; Romano T. Kroemer; Vincent Mikol; Hervé Minoux; Erdogan Tastan; Nicolas Baurin (J. Chem. Inf. Model., 2012)