Application and evaluation of the automated docking method.
Miho Yamada, Akiko Itai · Chemical and Pharmaceutical Bulletin · 1993
The method of automated searching for stable docking structures of protein-ligand complex, which is reported in the preceding paper, was applied to a dihydrofolate reductase-inhibitor system. The usefulness of the method was confirmed by the fact that the most stable docking models accurately reproduced the crystal structures of two enzyme-inhibitor complexes.