Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations. - Nadine Homeyer; Harris Ioannidis; Felix Kolarov; Günter Gauglitz; Christos Zikos; Antonios Kolocouris; Holger Gohlke (J. Chem. Inf. Model., 2016)

Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM. - Harris Ioannidis; Antonios Drakopoulos; Christina Tzitzoglaki; Nadine Homeyer; Felix Kolarov; Paraskevi Gkeka; Kathrin Freudenberger; Christos Liolios; Günter Gauglitz; Zoe Cournia; Holger Gohlke; Antonios Kolocouris (J. Chem. Inf. Model., 2016)