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Representative molecular structures of homoligand NP1, NP3, and NP5 AuNP and its heteroligand NP1/6, NP3/6, and NP5/6 counterpart from molecular dynamics simulations in explicit solvent (water). For clarity, water and counterions are not shown. Color representation of atoms: C, gray; O, red; S, yellow; P, orange; N, blue; F, green; H, white.
