Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations. - Patrick Bleiziffer; Kay Schaller; Sereina Riniker (J. Chem. Inf. Model., 2018)

Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules. - Salomé Rieder; Benjamin Ries; Kay Schaller; Candide Champion; Emília P. Barros; Philippe H. Hünenberger; Sereina Riniker (J. Chem. Inf. Model., 2022)

Correction to "Machine Learning of Partial Charges Derived From High-Quality Quantum-Mechanical Calculations". - Patrick Bleiziffer; Kay Schaller; Sereina Riniker (J. Chem. Inf. Model., 2023)