Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial Activity. (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/10.1021/acs.jcim.2c00531
PubMed Identifier: 35994014
Publication URI: http://europepmc.org/abstract/MED/35994014
Type: Journal Article/Review
Volume: 62
Parent Publication: Journal of chemical information and modeling
Issue: 24
ISSN: 1549-9596