Arnaud Blondel

Publication Activity (10 Years)

Years Active: 1996-2019
Publications (10 Years): 3

Top Topics

Growing Hierarchical Self Organizing Map

Protein Structure

Top Venues

J. Chem. Inf. Model.

Publications

Damien Monet, Nathan Desdouits, Michael Nilges, Arnaud Blondel
mkgridXf: Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics. J. Chem. Inf. Model. 59 (8) (2019)
Emna Harigua-Souiai, Isidro Cortes-Ciriano, Nathan Desdouits, Thérèse E. Malliavin, Ikram Guizani, Michael Nilges, Arnaud Blondel, Guillaume Bouvier
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis. BMC Bioinform. 16 (2015)
Guillaume Bouvier, Nathan Desdouits, Mathias Ferber, Arnaud Blondel, Michael Nilges
An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps. Bioinform. 31 (9) (2015)
Guillaume Bouvier, Nathalie Duclert-Savatier, Nathan Desdouits, Djalal Meziane-Cherif, Arnaud Blondel, Patrice Courvalin, Michael Nilges, Thérèse E. Malliavin
Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps. J. Chem. Inf. Model. 54 (1) (2014)
Arnaud Blondel
Ensemble variance in free energy calculations by thermodynamic integration: Theory, optimal Alchemical path, and practical solutions. J. Comput. Chem. 25 (7) (2004)
Arnaud Blondel, Martin Karplus
New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities. J. Comput. Chem. 17 (9) (1996)