with 𝜀 estimated small over a finite range of scores Z. Maybe the higher order terms are non-negligible. However, in the protein inhibitors on well-structured cavities, eqn 10 performs well in modeling peaks in the score distribution. Given that 1 kcal translates to x10 in observed room temperature binding affinity to via 10 -Δ𝑆𝑐𝑜𝑟𝑒/6.5 , 1 kcal is 6.5 difference in GOLD PLP score, 𝛾 = 1 6.5 ⁄ = .15 kcal.