Estimation of Ligand Binding Free Energy Using Multi-eGO

Bruno Stegani, Emanuele Scalone, Fran Bacic Toplek, Thomas Löhr, Stefano Gianni, Michele Vendruscolo, Riccardo Capelli, Carlo Camilloni. Estimation of Ligand Binding Free Energy Using Multi-eGO. Journal of Chemical Information and Computer Sciences, 65(1):351-362, 2025. [doi]

Abstract

Abstract is missing.