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Binding of Benzylpenicillin to Metallo-β-lactamase: A QM/MM Study

✍ Scribed by Olsen, Lars; Rasmussen, T.; Hemmingsen, L.; Ryde, U.

Book ID
118206203
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
356 KB
Volume
108
Category
Article
ISSN
0022-3654

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✍ Irina Massova; Peter A. Kollman 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 672 KB

## Abstract The acylation step of the catalytic mechanism of β‐lactamases and penicillin‐binding proteins (PBPs) has been studied with various approaches. The methods applied range from molecular dynamics (MD) simulations to multiple titration calculations using the Poisson–Boltzmann approach to qu