Eko A. Rifai, Marc van Dijk, Nico P. E. Vermeulen, Daan P. Geerke. 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. Journal of Computer-Aided Molecular Design, 32(1):239-249, 2018. [doi]
@article{RifaiDVG18,
title = {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},
author = {Eko A. Rifai and Marc van Dijk and Nico P. E. Vermeulen and Daan P. Geerke},
year = {2018},
doi = {10.1007/s10822-017-0055-0},
url = {https://doi.org/10.1007/s10822-017-0055-0},
researchr = {https://researchr.org/publication/RifaiDVG18},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {32},
number = {1},
pages = {239-249},
}