Christina Athanasiou

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

Christina Athanasiou, Sofia Vasilakaki, Dimitris Dellis, 2017, Journal of Computer-Aided Molecular Design.

From Computers to Bedside: Computational Chemistry Contributing to FDA Approval

Christina Athanasiou, Zoe Cournia, Z. Cournia, 2018, Biomolecular Simulations in Structure-Based Drug Discovery.