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 GreshDavid PerahiaBenoit de CourcyJohanna ForetCeline RouxLea El-KhouryJean-Philip PiquemalLaurent SalmonPublished in: J. Comput. Chem. (2016)