Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent Inhibitors. (2019)
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.9b00404
PubMed Identifier: 31498988
Publication URI: http://europepmc.org/abstract/MED/31498988
Type: Journal Article/Review
Volume: 59
Parent Publication: Journal of chemical information and modeling
Issue: 10
ISSN: 1549-9596