Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisosters. - Fabio Falcioni; Jas Kalayan; Richard H. Henchman (J. Comput. Aided Mol. Des., 2021)

How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach. - Fabio Falcioni; Paul L. A. Popelier (J. Chem. Inf. Model., 2023)