Pascal Bonnet

Publication Activity (10 Years)

Years Active: 2009-2022
Publications (10 Years): 5

Top Topics

Protein Structure Prediction

Sequence Alignment

Molecular Dynamics

Biological Data

Top Venues

J. Chem. Inf. Model.

Publications

Sonia Ziada, Julien Diharce, Eric Raimbaud, Samia Aci-Sèche, Pierre Ducrot, Pascal Bonnet
Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations. J. Chem. Inf. Model. 62 (22) (2022)
Abdennour Braka, Norbert Garnier, Pascal Bonnet, Samia Aci-Sèche
Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations. J. Chem. Inf. Model. 60 (1) (2020)
Maksim Koptelov, Albrecht Zimmermann, Pascal Bonnet, Ronan Bureau, Bruno Crémilleux
PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds. KDD (2018)
Nicolas Bosc, Christophe Meyer, Pascal Bonnet
The use of novel selectivity metrics in kinase research. BMC Bioinform. 18 (1) (2017)
Nicolas Bosc, Berthold Wroblowski, Christophe Meyer, Pascal Bonnet
Prediction of Protein Kinase-Ligand Interactions through 2.5D Kinochemometrics. J. Chem. Inf. Model. 57 (1) (2017)
Alessio Atzori, Neil J. Bruce, Kepa K. Burusco, Berthold Wroblowski, Pascal Bonnet, Richard A. Bryce
Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics. J. Chem. Inf. Model. 54 (10) (2014)
Daniel Mucs, Richard A. Bryce, Pascal Bonnet
Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors. J. Comput. Aided Mol. Des. 25 (6) (2011)
Pascal Bonnet, Dimitris K. Agrafiotis, Fangqiang Zhu, Eric J. Martin
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. J. Chem. Inf. Model. 49 (10) (2009)