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)

Machine Guided Discovery of Novel Carbon Capture Solvents. - James L. McDonagh; Benjamin H. Wunsch; Stamatia Zavitsanou; Alexander Harrison; Bruce Elmegreen; Stacey Gifford; Theodore van Kessel; Flaviu S. Cipcigan (CoRR, 2023)