Figure : Summary of results for ∆G o Bound obtained for binding pose A using a variety of restraints schemes. Uncertainties are 95 % confidence intervals based on the variance of 5 replicate runs, assuming Gaussian distributions. Results for B1 have been omitted as they appeared to be more susceptible to water sampling issues. For B3-P, run 1 was excluded from the average due to under-sampling of water in binding site during the vanishing stage.