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; 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

Jens Antony Jean-Philip Piquemal ¹ Nohad Gresh ²

1 LCT - Laboratoire de chimie théorique

2 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02127145
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 11:30:48 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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

Identifiers

Collections

Citation

Export

Metrics

4

Contact

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

Identifiers

Collections

Citation

Export

Share

Metrics

4

Contact