Celine Roux

According to our database, Celine Roux authored at least 2 papers between 2007 and 2016.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2016

Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown.

Nohad Gresh, David Perahia, Benoit de Courcy, Johanna Foret, Celine Roux, Lea El-Khoury, Jean-Philip Piquemal, Laurent Salmon

J. Comput. Chem., 2016

2007

Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase from <i>Candida albicans</i> studied by polarizable molecular mechanics and quantum mechanics.

Celine Roux, Nohad Gresh, Lalith E. Perera, Jean-Philip Piquemal, Laurent Salmon

J. Comput. Chem., 2007