Edithe Selwa

Publication Activity (10 Years)

Years Active: 2016-2019
Publications (10 Years): 6

Top Topics

Grand Challenge

Belief Propagation

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Ludovic Chaput, Edithe Selwa, Eddy Elisée, Bogdan I. Iorga
Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. J. Comput. Aided Mol. Des. 33 (1) (2019)
Eddy Elisée, Vytautas Gapsys, Nawel Mele, Ludovic Chaput, Edithe Selwa, Bert L. de Groot, Bogdan I. Iorga
Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset. J. Comput. Aided Mol. Des. 33 (12) (2019)
Edithe Selwa, Eddy Elisée, Agustin Zavala, Bogdan I. Iorga
Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. J. Comput. Aided Mol. Des. 32 (1) (2018)
Edithe Selwa, Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga
SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies. J. Comput. Aided Mol. Des. 32 (10) (2018)
Virginie Y. Martiny, François Martz, Edithe Selwa, Bogdan I. Iorga
Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset. J. Chem. Inf. Model. 56 (6) (2016)
Edithe Selwa, Virginie Y. Martiny, Bogdan I. Iorga
Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets. J. Comput. Aided Mol. Des. 30 (9) (2016)