| 1 |
Stacked and H-Bonded Cytosine Dimers. Analysis of the Intermolecular Interaction Energies by Parallel Quantum Chemistry and Polarizable Molecular Mechanics.
Gresh N, Sponer JE, Devereux M, Gkionis K, de Courcy B, Piquemal JP, Sponer J
Journal of Physical Chemistry B, 119(30), 9477, 2015 |
| 2 |
Polarizable Water Networks in Ligand-Metalloprotein Recognition. Impact on the Relative Complexation Energies of Zn-Dependent Phosphomannose Isomerase with D-Mannose 6-Phosphate Surrogates
Gresh N, de Courcy B, Piquemal JP, Foret J, Courtiol-Legourd S, Salmon L
Journal of Physical Chemistry B, 115(25), 8304, 2011 |
| 3 |
Polarizable Water Molecules in Ligand-Macromolecule Recognition. Impact on the Relative Affinities of Competing Pyrrolopyrimidine Inhibitors for FAK Kinase
de Courcy B, Piquemal JP, Garbay C, Gresh N
Journal of the American Chemical Society, 132(10), 3312, 2010 |
| 4 |
Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory
Gloaguen E, de Courcy B, Piquemal JP, Pilme J, Parisel O, Pollet R, Biswal HS, Piuzzi F, Tardivel B, Broquier M, Mons M
Journal of the American Chemical Society, 132(34), 11860, 2010 |
