For the pose prediction challenge, we took advantage of the available BACE-1 receptor structures co-crystallized with compounds of the same chemical families as the D3R query ligands and generated docked poses using a ligandbased design method called HYBRID . However, instead of using the built-in scoring function in HYBRID, we selected the final pose based on inputs from structure visualization, stability in the binding site and binding scores generated using molecular mechanics and generalized Born surface area calculations (MM-GBSA) .