Michail Papadourakis

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 4

Top Topics

Computationally Tractable

Lessons Learned

Approximate Inference

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Isidora Diakogiannaki, Michail Papadourakis, Vasileia Spyridaki, Zoe Cournia, Andreas Koutselos
Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. J. Chem. Inf. Model. 64 (13) (2024)
Stamatia Zavitsanou, Alexandros Tsengenes, Michail Papadourakis, Giorgio Amendola, Alexios Chatzigoulas, Dimitris Dellis, Sandro Cosconati, Zoe Cournia
FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations. J. Chem. Inf. Model. 61 (9) (2021)
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, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. J. Comput. Aided Mol. Des. 34 (5) (2020)
Michail Papadourakis, Stefano Bosisio, Julien Michel
Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge. J. Comput. Aided Mol. Des. 32 (10) (2018)