Michail Papadourakis

Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge

Julien Michel, Michail Papadourakis, Stefano Bosisio, 2018, Journal of Computer-Aided Molecular Design.

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

Michail Papadourakis, Stefano Bosisio, David L. Mobley, 2020, Journal of Computer-Aided Molecular Design.

FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations

Michail Papadourakis, Dimitris Dellis, Zoe Cournia, 2021, J. Chem. Inf. Model..