Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations. - Nicolas Chéron; Eugene I. Shakhnovich (J. Comput. Chem., 2017)

A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016. - Théau Debroise; Eugene I. Shakhnovich; Nicolas Chéron (J. Chem. Inf. Model., 2017)

Binding Sites of Bicarbonate in Phosphoenolpyruvate Carboxylase. - Nicolas Chéron (J. Chem. Inf. Model., 2024)

Clustering data by reordering them. - Axel Descamps; Sélène Forget; Aliénor Lahlou; Claire Lavergne; Camille Berthelot; Guillaume Stirnemann; Rodolphe Vuilleumier; Nicolas Chéron (CoRR, 2025)