Overall estimate of binding such as highest score -large scale screening Larger numbers of docking jobs -binding mode analysis, dynamics, and stability/lifetime Atomic level analysis -atomic interactions of binding modes -interaction types between atom and cavity/amino acids Molecular dynamics (MD) is available for more in-depth studies, including conformational changes of proteins caused by ligand binding. Docking analysis using distributions mimics the former, and there could be slight differences due to molecular modeling differences.