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

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

Published:2005-08 Issue:11 Volume:26 Page:1131-1147
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Antony Jens,Piquemal Jean-Philip,Gresh Nohad

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.20245/fullpdf

Reference78 articles.

1. Metallo-β-lactamase: structure and mechanism

2. Modeling of the metallo-?-lactamase fromB. fragilis: Structural and dynamic effects of inhibitor binding

3. Molecular Dynamics Simulations of the Mononuclear Zinc-β-lactamase from Bacillus Cereus

4. Molecular Dynamics Simulations of the Mononuclear Zinc-β-lactamase from Bacillus cereus Complexed with Benzylpenicillin and a Quantum Chemical Study of the Reaction Mechanism

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