An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands. (2017)
Attributed to:
Predicting drug-target binding kinetics through multi-scale simulations
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.6b00772
PubMed Identifier: 28453271
Publication URI: http://europepmc.org/abstract/MED/28453271
Type: Journal Article/Review
Volume: 57
Parent Publication: Journal of chemical information and modeling
Issue: 5
ISSN: 1549-9596