Pascal Bonnet

According to our database, Pascal Bonnet authored at least 8 papers between 2009 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

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

2020

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

2018

PrePeP: A Tool for the Identification and Characterization of Pan Assay Interference Compounds.

Maksim Koptelov, Albrecht Zimmermann, Pascal Bonnet, Ronan Bureau, Bruno Crémilleux

Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, 2018

2017

Prediction of Protein Kinase-Ligand Interactions through 2.5D Kinochemometrics.

Nicolas Bosc, Berthold Wroblowski, Christophe Meyer, Pascal Bonnet

J. Chem. Inf. Model., 2017

The use of novel selectivity metrics in kinase research.

Nicolas Bosc, Christophe Meyer, Pascal Bonnet

BMC Bioinform., 2017

2014

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

2011

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

2009

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