Arnaud Blondel

According to our database, Arnaud Blondel authored at least 6 papers between 1996 and 2019.

Collaborative distances:

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

2019

mkgridXf: Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics.

Damien Monet, Nathan Desdouits, Michael Nilges, Arnaud Blondel

J. Chem. Inf. Model., 2019

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

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

2014

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

2004

Ensemble variance in free energy calculations by thermodynamic integration: Theory, optimal Alchemical path, and practical solutions.

Arnaud Blondel

J. Comput. Chem., 2004

1996

New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities.

Arnaud Blondel, Martin Karplus

J. Comput. Chem., 1996