(B) Compound 1 and the corresponding simulated annealing composite omit electron denseness map contoured at 3 is shown (mFo C DFc, green mesh). mutations at the early stages of the design process. Graphical Abstract Pisa et al. identifies how engineered point mutations in protein active sites can be used to forecast the binding modes of … Continue reading (B) Compound 1 and the corresponding simulated annealing composite omit electron denseness map contoured at 3 is shown (mFo C DFc, green mesh)