The use of large numbers of docking jobs gives a well-defined recipe for a numerically derived density of states, score distributions, for the ligand to occupy. The density of non-covalent binding states of a ligand to a protein cavity can be derived in principle from fundamental atomic and molecular orbital interactions, or estimated in energetic regimes, but in this work the density is straightforwardly numerically calculable using protein-ligand docking software. With a density of states available, the machinery of statistical mechanics can be used. This is in the context of molecular modeling at the atomic and molecular level, modeled for a given protein conformation (although amino acid side-chains are treated as flexible in GOLD docking). The density of states can be calculated for both non-covalent and covalent binding (covalently bonded is expected to have less and more specific flexibility coming from the rotatable bonds). The modeled calculable density of states can be used in a general context, and because the binding breaks the ligand into conformational modes, modes are more physically intuitive to express in the equations especially in curve fitting.