what FEP is and why it's useful; limitations of current methods; Rowan FEP, TMD, and public benchmarks; how to run FEP in Rowan; the dream of FEP "too cheap to meter"; how to try Rowan FEP
Free-Energy Perturbation
what FEP is and why it's useful; limitations of current methods; Rowan FEP, TMD, and public benchmarks; how to run FEP in Rowan; the dream of FEP "too cheap to meter"; how to try Rowan FEP