Estimating Relative Free Energies from a Single Simulation of the Initial State. - Alan E. Mark; Heiko Schäfer; Haiyan Liu; Wilfred F. van Gunsteren (Computational Molecular Dynamics, 1999)

Estimating relative free energies from a single ensemble: Hydration free energies. - Heiko Schäfer; Wilfred F. van Gunsteren; Alan E. Mark (J. Comput. Chem., 1999)