Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.
Please log in to take part in the discussion (add own reviews or comments).
Cite this publication
More citation styles
- please select -
%0 Journal Article
%1 journals/jcamd/AthanasiouVDC18
%A Athanasiou, Christina
%A Vasilakaki, Sofia
%A Dellis, Dimitris
%A Cournia, Zoe
%D 2018
%J Journal of Computer-Aided Molecular Design
%K dblp
%N 1
%P 21-44
%T Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.
%U http://dblp.uni-trier.de/db/journals/jcamd/jcamd32.html#AthanasiouVDC18
%V 32
@article{journals/jcamd/AthanasiouVDC18,
added-at = {2018-11-14T00:00:00.000+0100},
author = {Athanasiou, Christina and Vasilakaki, Sofia and Dellis, Dimitris and Cournia, Zoe},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/25cc40b2e7d3e14735b8465f284a5f695/dblp},
ee = {https://www.wikidata.org/entity/Q47614697},
interhash = {95a418c2066052f40bde94b54dc4da94},
intrahash = {5cc40b2e7d3e14735b8465f284a5f695},
journal = {Journal of Computer-Aided Molecular Design},
keywords = {dblp},
number = 1,
pages = {21-44},
timestamp = {2019-09-27T07:19:12.000+0200},
title = {Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.},
url = {http://dblp.uni-trier.de/db/journals/jcamd/jcamd32.html#AthanasiouVDC18},
volume = 32,
year = 2018
}
