Jens Antony, Jean-Philip Piquemal, Nohad Gresh. Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-β-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry.
Journal of Computational Chemistry, Wiley, 2005, 26 (11), pp.1131-1147.
⟨10.1002/jcc.20245⟩.
⟨hal-02127145⟩