Benoît de Courcy

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy

Robin Chaudret, Benoît de Courcy, Julia Contreras‐García et al. · Physical Chemistry Chemical Physics · 2013 · 176 citations

Electron Density, Electron Density Topology, Engineering +15

Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory

Eric Gloaguen, Benoît de Courcy, Jean‐Philip Piquemal et al. · Journal of the American Chemical Society · 2010 · 85 citations

Understanding Selectivity of Hard and Soft Metal Cations within Biological Systems Using the Subvalence Concept. 1. Application to Blood Coagulation: Direct Cation−Protein Electronic Effects versus Indirect Interactions through Water Networks

Benoît de Courcy, Lee G. Pedersen, Olivier Parisel et al. · Journal of Chemical Theory and Computation · 2010 · 65 citations · Full text

Engineering, Computational Chemistry, Subvalence Concept +18

Polarizable Water Molecules in Ligand−Macromolecule Recognition. Impact on the Relative Affinities of Competing Pyrrolopyrimidine Inhibitors for FAK Kinase

Benoît de Courcy, Jean‐Philip Piquemal, Christiane Garbay et al. · Journal of the American Chemical Society · 2010 · 59 citations

Polarizable Water Networks in Ligand–Metalloprotein Recognition. Impact on the Relative Complexation Energies of Zn-Dependent Phosphomannose Isomerase with <scp>d</scp>-Mannose 6-Phosphate Surrogates

Nohad Gresh, Benoît de Courcy, Jean‐Philip Piquemal et al. · The Journal of Physical Chemistry B · 2011 · 30 citations

Bioorganic Chemistry, Engineering, Fak Kinase +18