Rescaling of Point Charges as a Way to Improve the Simple-to-Use Electrostatic Embedding Scheme Developed to Explore Enzyme Activity with QM-Oriented Software

Andrzej J. Kalka, Ales Novotný, Jernej Stare. Rescaling of Point Charges as a Way to Improve the Simple-to-Use Electrostatic Embedding Scheme Developed to Explore Enzyme Activity with QM-Oriented Software. Journal of Chemical Information and Computer Sciences, 65(16):8653-8663, 2025. [doi]

Abstract

Abstract is missing.