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The combined quantum mechanics/molecular mechanics investigation followed by the detailed electron density analysis for 9 cephalosporin–L1 metallo-β-lactamase complexes revealed correlation between the N···H hydrogen bond strength in the transition state… Click to show full abstract
The combined quantum mechanics/molecular mechanics investigation followed by the detailed electron density analysis for 9 cephalosporin–L1 metallo-β-lactamase complexes revealed correlation between the N···H hydrogen bond strength in the transition state at the limiting step and the reactivity of cephalosporin compounds. The stronger interactions were typical of the less reactive species.
Keywords:
bond strength;
state limiting;
hydrogen bond;
metallo lactamase;
strength transition;
transition state
Journal Title: Mendeleev Communications
Year Published: 2019
Link to full text (if available)
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Journal Title: Mendeleev Communications
Year Published: 2019
Link to full text (if available)
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recommendations!