R Zwanzig 1954: Delta-A = -kT ln <exp(-Delta-U/kT)>_0; basis of MD-FEP for binding-affinity + relative free-energies; modern alchemical methods.
R Zwanzig 1954: Delta-A = -kT ln <exp(-Delta-U/kT)>_0; basis of MD-FEP for binding-affinity + relative free-energies; modern alchemical methods.