Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study

Yenamareddy Bhargav Kumar, Anwesh Pandey, Nandan Kumar, G. Narahari Sastry. Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. Journal of Computational Chemistry, 44(3):432-441, January 2023. [doi]

Abstract

Abstract is missing.