Rapid classification of β-lactamase activity through AI-based structure prediction and electric field analysis
Daojiong Wang, Anderson H. Lima, Marc W. van der Kamp
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.
bioRxiv · Sep 25, 2026 · PreprintBiochemistry