Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin.

Hermann, Johannes C

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin. [electronic resource] - Journal of the American Chemical Society Mar 2005 - 4454-65 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

0002-7863

10.1021/ja044210d doi


Acylation
Anti-Bacterial Agents--chemistry
Binding Sites
Models, Molecular
Penicillin G--chemistry
Penicillin Resistance
Quantum Theory
Structure-Activity Relationship
Thermodynamics
beta-Lactamases--chemistry