DOCK is one of the oldest and best known
ligand-protein docking programs. The initial
version used rigid ligands; exibility was later
incorporated via incremental construction of the
ligand in the binding pocket. As said DOCK is
a fragment-based method using shape and
chemical complementary methods for creating
possible orientations for the ligand. These
orientations can be scored using three
different scoring functions; however none of
them contain explicit hydrogen-bonding terms,
solvation/desolvation terms, or hydrophobicity
terms thus limiting serious use. DOCK seems
to handle well a polar binding site and is useful
for fast docking, but it is not the most accurate
software available.