A central problem that arises in these studies is that they utilise protocols which do not systematically account for the chaotic nature of molecular dynamics simulation. The extreme sensitivity of such simulations to their initial conditions causes the many one-off results reported to be inherently non-reproducible. Addressing this issue forms the central focus of this work. The question which we address is whether it is possible to develop reliable methods that can accurately and reproducibly identify the full range of binding sites and binding modes that are accessible to a ligand. Such a method will permit us to go beyond what is essentially anecdotal evidence, and to report findings that are statistically reliable and of scientific value.