Table : Replicawise variation in results. Replica X denotes results obtained by taking values corresponding the replica X of each λ window for all ligand pairs, whereas TIES means using the data from all 5 replicas to obtain ∆∆G. "All" corresponds to the entire dataset. Two subsets have also been included -one with experimental ∆∆Gs less than 1 kcal/mol and the other with the difference between predicted and experimental values less than 1 kcal/mol. MUE is the mean unsigned error and r p is the Pearson's correlation coefficient. Standard errors are included in parentheses. All values in kcal/mol.