Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations

Sudarshan Behera, Vytautas Gapsys, Bert L. de Groot. Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations. Journal of Chemical Information and Computer Sciences, 65(21):11505-11509, 2025. [doi]

Abstract

Abstract is missing.