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2010 – 2019
- 2019
[j6]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): 3506-3518 (2019)- 2015
- [j5]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): 1490-1492 (2015) - [j4]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: 93:1-93:15 (2015) - 2014
- [j3]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): 289-301 (2014)
2000 – 2009
- 2004
- [j2]Arnaud Blondel:
Ensemble variance in free energy calculations by thermodynamic integration: Theory, optimal Alchemical path, and practical solutions. J. Comput. Chem. 25(7): 985-993 (2004)
1990 – 1999
- 1996
- [j1]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): 1132-1141 (1996)
Coauthor Index
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