A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors. (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/10.1002/prot.26227
PubMed Identifier: 34455628
Publication URI: http://europepmc.org/abstract/MED/34455628
Type: Journal Article/Review
Volume: 90
Parent Publication: Proteins
Issue: 2
ISSN: 0887-3585