QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A ß-lactamases (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/10.26434/chemrxiv-2022-4jdc5
Publication URI: http://dx.doi.org/10.26434/chemrxiv-2022-4jdc5
Type: Preprint