Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2.
Eko Aditya RifaiMarc van DijkNico P. E. VermeulenDaan P. GeerkePublished in: J. Comput. Aided Mol. Des. (2018)