Edithe Selwa

According to our database, Edithe Selwa authored at least 6 papers between 2016 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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

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

2018

SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies.

Edithe Selwa, Ian M. Kenney, Oliver Beckstein, Bogdan I. Iorga

J. Comput. Aided Mol. Des., 2018

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

2016

Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset.

Virginie Y. Martiny, François Martz, Edithe Selwa, Bogdan I. Iorga

J. Chem. Inf. Model., 2016

Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets.

Edithe Selwa, Virginie Y. Martiny, Bogdan I. Iorga

J. Comput. Aided Mol. Des., 2016