Thermodynamic integration network approach to ion transport through protein channels: Perspectives and limits. - Se Hee Na; Thomas Steinbrecher; Thorsten Koslowski (J. Comput. Chem., 2018)

Monte Carlo simulation and thermodynamic integration applied to protein charge transfer. - Jan Kaiser; Mike Castellano; David Gnandt; Thorsten Koslowski (J. Comput. Chem., 2020)