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Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?
[Image: see text] Benzylpenicillin, a member of the β-lactam antibiotic class, has been widely used to combat bacterial infections since 1947. The general mechanism is well-known: a serine protease enzyme (i.e., DD-peptidase) forms a long lasting intermediate with the lactam ring of the antibiotic k...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4036751/ https://www.ncbi.nlm.nih.gov/pubmed/24697903 http://dx.doi.org/10.1021/ci5000517 |