Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. - Edithe Selwa; Eddy Elisée; Agustin Zavala; Bogdan I. Iorga (J. Comput. Aided Mol. Des., 2018)

Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. - Ludovic Chaput; Edithe Selwa; Eddy Elisée; Bogdan I. Iorga (J. Comput. Aided Mol. Des., 2019)

Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset. - Eddy Elisée; Vytautas Gapsys; Nawel Mele; Ludovic Chaput; Edithe Selwa; Bert L. de Groot; Bogdan I. Iorga (J. Comput. Aided Mol. Des., 2019)