Figure 1
MD simulations of the F–Pu complex. Dark ribbon and dark balls depict protein and Pu atoms, respectively. Protein residues, carbonates and waters associated with Pu atoms are shown in ball-and-stick form. The hydrogen atoms of water have been omitted for clarity. The number of each Pu site refers to Figs. 2(a) and 2(b) and Table S2. |