An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands. (2017)

First Author: Saleh N
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