A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1

Title
A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1
Authors
Keywords
QM/MM, NDM-1, MD, Catalytic mechanism, β-Lactam antibiotics
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 27, Issue 3, Pages 247-256
Publisher
Springer Nature
Online
2013-03-02
DOI
10.1007/s10822-012-9630-6

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