Cucurbit[7]uril Inclusion Complexes with Benzimidazole Derivatives: A Computational Study
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DOI: 10.1007/s10953-018-0812-2
Abstract: Molecular dynamics (MD) simulations were carried out to study the host–guest complexation in aqueous solution between cucurbit[7]uril (CB7) and the neutral and protonated forms of benzimidazole derivatives. Complexation occurs via encapsulation of the hydrophobic part… read more here.
Keywords: benzimidazole derivatives; cucurbit uril; study; host guest ... See more keywords