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Multiple Molecular Dynamics Simulations of TEM β-Lactamase: Dynamics and Water Binding of the Ω-Loop

✍ Scribed by Bös, Fabian; Pleiss, Jürgen


Book ID
119205918
Publisher
Biophysical Society
Year
2009
Tongue
English
Weight
817 KB
Volume
97
Category
Article
ISSN
0006-3495

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Molecular dynamics simulations of the di
✍ Dimas Suárez; Natalia Díaz; Kenneth M. Merz Jr. 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 440 KB

## Abstract Herein, we present results from MD simulations of the Michaelis complex formed between the dizinc β‐lactamase from __B. fragilis__ and imipenem. We considered two catalytically important configurations, which differ in the presence or absence of a hydroxide bridge connecting the two zin