[jleyank]

Yeah, and while computational modeling has a good handle on enthalpy in drug design, it's all handwaving and statistics for entropy. And yet it's entropy that breaks predictions and drives medchem.

Solve how to properly model the free energy of interaction between a ligand and a protein (or two proteins) with proper solvent treatment and (a) you'll be famous, not Kardashian famous, but famous and (b) a whole lot of people will buy or download your software.