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 unknownNohad Gresh, L. Salmon, Jean‐Philip Piquemal et al.|Journal of Computational Chemistry|2016Cited by 12
Polarizable molecular mechanics studies of<scp>Cu(I)/Zn(II)</scp>superoxide dismutase: Bimetallic binding site and structured watersNohad Gresh, Dorothée Berthomieu, Krystel El Hage et al.|Journal of Computational Chemistry|2014Cited by 10
Addressing the Issues of Non-isotropy and Non-additivity in the Development of Quantum Chemistry-Grounded Polarizable Molecular MechanicsNohad Gresh, Jean‐Philip Piquemal, Filippo Lipparini et al.|Challenges and advances in computational chemistry and physics|2015Cited by 2