Since the introduction of penicillin, β-lactam antibiotics have been the antimicrobial agents
of choice. Unfortunately, the efficacy of these life-saving antibiotics is significantly threatened …

Combined quantum mechanics/molecular mechanics (QM/MM) methods provide an
accurate and efficient energetic description of complex chemical and biological systems …

Growing evidence supports the view that enzymatic activity results from a subtle interplay
between chemical kinetics and molecular motions. A systematic analysis is performed here …

β-Lactamase acquisition is the most prevalent basis for Gram-negative bacteria resistance to
the β-lactam antibiotics. The mechanism used by the most common class A Gram-negative β …

Understanding the mechanisms by which β-lactamases destroy β-lactam antibiotics is
potentially vital in developing effective therapies to overcome bacterial antibiotic resistance …

ABSTRACT β-Lactamase enzymes (EC 3.5. 2.6) are a significant threat to the continued use
of β-lactam antibiotics to treat infections. A novel non-β-lactam β-lactamase inhibitor with …

Antimicrobial resistance (AMR) is a growing global health concern, necessitating innovative
strategies beyond the development of new antibiotics. Here, we employed NdYVO4: Eu3+ …

Optimization of reaction paths for enzymatic systems is a challenging problem because such
systems have a very large number of degrees of freedom and many of these degrees are …

The bacterial enzyme class of β-lactamases are involved in benzylpenicillin acylation
reactions, which are currently being revisited using hybrid quantum mechanical molecular …

Bacterial class A β-lactamases are responsible for the most known resistance against β-
lactam antibiotics. With the continuing rise in antibiotic resistance, improved knowledge of …