The total interaction is broken down at the atomic level, then in types of atomic interactions, and then distributionally and in binding mode over larger sets of docking runs. There are many reasons why this information is relevant. A chemical interpretation of the individual atomic binding characterizes overall protein-ligand binding. Identification of badly fitting atoms can be used to improve molecular design. Identifying atom and regions of good interaction can explain binding in terms of positional attachment and longevity of the ligand semi-bound state (in an on-/off-dynamic setting). An average PLP score per atom of many protein-ligand complexes leads to the following heuristic, The output of a large number of docking runs generates many gold_soln files, one for each docking run, in addition to other relevant files. 20000 docking runs is complete but less files can be used to shorten the computational time, which is in any case much smaller by orders of magnitude than performing an MD simulation for the same information given the molecular modeling.