Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge. - Solmaz Azimi; Joe Z. Wu; Sheenam Khuttan; Tom Kurtzman; Nanjie Deng; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2022)

Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. - Solmaz Azimi; Sheenam Khuttan; Joe Z. Wu; Rajat Kumar Pal; Emilio Gallicchio (J. Chem. Inf. Model., 2022)