Automatic clustering of docking poses in virtual screening process using self-organizing map. - Guillaume Bouvier; Nathalie Evrard-Todeschi; Jean-Pierre Girault; Gildas Bertho (Bioinform., 2010)

Étude d'inhibiteurs de l'intégrase du VIH-1 par RMN et modélisation moléculaire : Développement et validation d'un outil de criblage virtuel. (HIV-1 integrase inhibitors study by NMR and molecular modeling). - Guillaume Bouvier (2010)

A convective replica-exchange method for sampling new energy basins. - Yannick G. Spill; Guillaume Bouvier; Michael Nilges (J. Comput. Chem., 2013)

Erratum: A convective replica-exchange method for sampling new energy basins. - Yannick G. Spill; Guillaume Bouvier; Michael Nilges (J. Comput. Chem., 2013)

Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps. - Guillaume Bouvier; Nathalie Duclert-Savatier; Nathan Desdouits; Djalal Meziane-Cherif; Arnaud Blondel; Patrice Courvalin; Michael Nilges; Thérèse E. Malliavin (J. Chem. Inf. Model., 2014)

An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps. - Guillaume Bouvier; Nathan Desdouits; Mathias Ferber; Arnaud Blondel; Michael Nilges (Bioinform., 2015)

An algorithm to enumerate all possible protein conformations verifying a set of distance constraints. - Andrea Cassioli; Benjamin Bardiaux; Guillaume Bouvier; Antonio Mucherino; Rafael Alves; Leo Liberti; Michael Nilges; Carlile Lavor; Thérèse E. Malliavin (BMC Bioinform., 2015)

Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis. - Emna Harigua-Souiai; Isidro Cortes-Ciriano; Nathan Desdouits; Thérèse E. Malliavin; Ikram Guizani; Michael Nilges; Arnaud Blondel; Guillaume Bouvier (BMC Bioinform., 2015)

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel. - Isidro Cortes-Ciriano; Gerard J. P. van Westen; Guillaume Bouvier; Michael Nilges; John P. Overington; Andreas Bender 002; Thérèse E. Malliavin (Bioinform., 2016)

Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa: d-Lac Ligase VanA. - Nathalie Duclert-Savatier; Guillaume Bouvier; Michael Nilges; Thérèse E. Malliavin (J. Chem. Inf. Model., 2016)

Meet-U: Educating through research immersion. - Nika Abdollahi; Alexandre Albani; Éric Anthony; Agnes Baud; Mélissa Cardon; Robert Clerc; Dariusz Czernecki; Romain Conte; Laurent David; Agathe Delaune; Samia Djerroud; Pauline Fourgoux; et al. (PLoS Comput. Biol., 2018)

InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein-protein interactions. - Vincent Mallet; Luis Checa Ruano; Alexandra Moine-Franel; Michael Nilges; Karen Druart; Guillaume Bouvier; Olivier Sperandio (Bioinform., 2022)

AlignScape, displaying sequence similarity using self-organizing maps. - Isaac Filella-Merce; Vincent Mallet; Eric Durand; Michael Nilges; Guillaume Bouvier; Riccardo Pellarin (Frontiers Bioinform., 2024)