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 (FEWmem).
![Free Energy Workflow (FEW)](/en/ibg/ibg-4/expertise/databases-softwares-and-webservers-in-the-gohlke-group/few_workflow.png/@@images/image/teaser)
Homeyer & Gohlke J Chem. Comput. (2013)
Homeyer & Gohlke Gen. Subjects (2015)
Last Modified: 01.06.2022