Molecular Mechanism for the Dual Alcohol Modulation of Cys-loop Receptors. - Samuel Murail; Rebecca J. Howard; Torben Broemstrup; Edward J. Bertaccini; R. Adron Harris; James R. Trudell; Erik Lindahl (PLoS Comput. Biol., 2012)

DaReUS-Loop: a web server to model multiple loops in homology models. - Yasaman Karami; Julien Rey; Guillaume Postic; Samuel Murail; Pierre Tufféry; Sjoerd Jacob de Vries (Nucleic Acids Res., 2019)

InterEvDock3: a combined template-based and free docking server with increased performance through explicit modeling of complex homologs and integration of covariation-based contact maps. - Chloé Quignot; Guillaume Postic; Hélène Bret; Julien Rey; Pierre Granger; Samuel Murail; Pablo Chacón; Jessica Andreani; Pierre Tufféry; Raphaël Guérois (Nucleic Acids Res., 2021)

PEP-FOLD4: a pH-dependent force field for peptide structure prediction in aqueous solution. - Julien Rey; Samuel Murail; Sjoerd Jacob de Vries; Philippe Derreumaux; Pierre Tufféry (Nucleic Acids Res., 2023)

Exploring a Structural Data Mining Approach to Design Linkers for Head-to-Tail Peptide Cyclization. - Yasaman Karami; Samuel Murail; Julien Giribaldi; Benjamin Lefranc; Florian Defontaine; Olivier Lesouhaitier; Jérôme Leprince; Sjoerd Jacob de Vries; Pierre Tufféry (J. Chem. Inf. Model., 2023)

Af-analysis: a Python package for Alphafold analysis. - Alaa Reguei; Samuel Murail (J. Open Source Softw., 2025)