A functional investigation of antibody Fc-FcRn variant binding guided by *in silico* free energy perturbation methods
Jared M. Sampson, Alina P. Sergeeva, Tianyang Gao…·Richard A. Friesner
This paper uses free energy perturbation (FEP) calculations to predict and improve the accuracy of Fc-FcRn binding energy changes due to mutations, incorporating conformational changes and coupling effects.