Before revision: Persistent, direct interactions between proteins in complex phases and small molecules acting as ligands, including processes taking place in lamellar environments like the membrane or in crowded, non-dilute environments, are critical to action of numerous drugs. Few computational approaches have been developed for making quantitative predictions of binding probabilities in environments other than dilute isotropic solution.
After revision: The theory of receptor-ligand binding equilibria has long been well-established in biochemistry, and was primarily constructed to describe dilute aqueous solutions. Accordingly, few computational approaches have been developed for making quantitative predictions of binding probabilities in environments other than dilute isotropic solution.