BioinformaticsbioRxivPreprint
Insight into the mechanism of molecular interactions of the NDM metallo-beta-lactamase and cyclic boronate inhibition by molecular docking and molecular dynamics simulations
This study uses molecular docking and dynamics simulations to analyze how cyclic boronate inhibitors bind to NDM1, showing they are more stable than carbapenems and their monocyclic counterparts.
DOI 10.64898/2026.09.09.750529