Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's). - Francesca Moraca; Ana Negri; Cesar de Oliveira; Robert Abel (J. Chem. Inf. Model., 2019)

FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning. - Cesar de Oliveira; Karl Leswing; Shulu Feng; René Kanters; Robert Abel; Sathesh Bhat (J. Chem. Inf. Model., 2023)