Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. - Pascal Bonnet; Dimitris K. Agrafiotis; Fangqiang Zhu; Eric J. Martin (J. Chem. Inf. Model., 2009)

Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors. - Daniel Mucs; Richard A. Bryce; Pascal Bonnet (J. Comput. Aided Mol. Des., 2011)

Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics. - Alessio Atzori; Neil J. Bruce; Kepa K. Burusco; Berthold Wroblowski; Pascal Bonnet; Richard A. Bryce (J. Chem. Inf. Model., 2014)

The use of novel selectivity metrics in kinase research. - Nicolas Bosc; Christophe Meyer; Pascal Bonnet (BMC Bioinform., 2017)

Prediction of Protein Kinase-Ligand Interactions through 2.5D Kinochemometrics. - Nicolas Bosc; Berthold Wroblowski; Christophe Meyer; Pascal Bonnet (J. Chem. Inf. Model., 2017)

PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds. - Maksim Koptelov; Albrecht Zimmermann; Pascal Bonnet; Ronan Bureau; Bruno Crémilleux (KDD, 2018)

Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations. - Abdennour Braka; Norbert Garnier; Pascal Bonnet; Samia Aci-Sèche (J. Chem. Inf. Model., 2020)

Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations. - Sonia Ziada; Julien Diharce; Eric Raimbaud; Samia Aci-Sèche; Pierre Ducrot; Pascal Bonnet (J. Chem. Inf. Model., 2022)