Tautomer-specific deacylation and O-loop flexibility explain carbapenem-hydrolyzing, broad-spectrum activity of the KPC-2 ß-lactamase (2022)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1101/2022.11.11.516172
Publication URI: http://dx.doi.org/10.1101/2022.11.11.516172
Type: Preprint