Free Energy Workflow (FEW)

The free energy workflow is a tool within the AMBER suite for automating protein-ligands binding free energy calculations by applying TI, MMGBSA, MMPBA or LIE over a conformational ensemble generated by molecular dynamics simulations. The program supports calculations in either implicit solvents or implicit membrane (FEW^mem).

Homeyer & Gohlke J Chem. Comput. (2013)

Homeyer & Gohlke Gen. Subjects (2015)