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Best representative solutions of the most stable clusters for the interaction of [VVO2(L1–4)]− with BSA: (a) [VVO2(L1)]− at the interface IIA/IB; (b) [VVO2(L2)]− at the interface IIA/IIB; (c) [VVO2(L3)]− at the interface IB/IIIB; and (d) [VVO2(L4)]− at the interface IIA/IIB. Subdomains IIA, IIIA, IB, IIB, and IIIB are depicted in cyan, purple, brown, green and tan, respectively. Interacting residues are also shown.
