Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins. (2021)
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.1c01109
PubMed Identifier: 34748329
Publication URI: http://europepmc.org/abstract/MED/34748329
Type: Journal Article/Review
Volume: 61
Parent Publication: Journal of chemical information and modeling
Issue: 11
ISSN: 1549-9596