Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge. - Michail Papadourakis; Stefano Bosisio; Julien Michel (J. Comput. Aided Mol. Des., 2018)

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. - Andrea Rizzi; Travis Jensen; David R. Slochower; Matteo Aldeghi; Vytautas Gapsys; Dimitris Ntekoumes; Stefano Bosisio; Michail Papadourakis; Niel M. Henriksen; Bert L. de Groot; Zoe Cournia; Alex Dickson; et al. (J. Comput. Aided Mol. Des., 2020)

FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations. - Stamatia Zavitsanou; Alexandros Tsengenes; Michail Papadourakis; Giorgio Amendola; Alexios Chatzigoulas; Dimitris Dellis; Sandro Cosconati; Zoe Cournia (J. Chem. Inf. Model., 2021)

Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. - Isidora Diakogiannaki; Michail Papadourakis; Vasileia Spyridaki; Zoe Cournia; Andreas Koutselos (J. Chem. Inf. Model., 2024)

Identification of Small-Molecule Antagonists Targeting the Growth Hormone Releasing Hormone Receptor (GHRHR). - Minos-Timotheos Matsoukas; Tarryn Radomsky; Vasilis Panagiotopoulos; Robin du Preez; Michail Papadourakis; Konstantinos Tsianakas; Robert P. Millar; Ross C. Anderson; Georgios A Spyroulias; Claire L. Newton (J. Chem. Inf. Model., 2024)