Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-β-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry - Archive ouverte HAL
Journal Articles Journal of Computational Chemistry Year : 2005

Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-β-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry

Jens Antony
  • Function : Author
Jean-Philip Piquemal
Laboratoire de chimie théorique
CV
Nohad Gresh
  • Function : Author
  • PersonId : 842212
Pharmacochimie Moléculaire et Cellulaire

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Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02127145

Submitted on : Monday, May 13, 2019-11:30:48 AM

Last modification on : Thursday, April 11, 2024-1:08:12 PM

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hal-02127145 , version 1 (13-05-2019)

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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, 2005, 26 (11), pp.1131-1147. ⟨10.1002/jcc.20245⟩. ⟨hal-02127145⟩

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