Daojiong Wang

This paper investigates how electrostatic effects in the active site influence the potency of DBO inhibitors against OXA-48 variants using computational simulations.

This study develops a computational method to estimate β-lactamase activity against carbapenems using AI-based structure prediction and electric field analysis, achieving strong correlation with experimental data.

This paper investigates the molecular mechanisms of collateral sensitivity in β-lactamase evolution, showing how specific mutations alter enzyme structure and drug resistance profiles.

This study identifies how hydrogen-bonding changes in OXA-48 variants affect imipenem hydrolysis efficiency and resistance.

This paper shows how evolution improves enzyme function by shifting the rate-limiting step from substrate binding to sub-state interconversion in β-lactamase OXA-48.