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  • Title: Targeting the DNA minor groove with fused ring dicationic compounds: comparison of in silico screening and a high-resolution crystal structure.
    Author: Campbell NH, Evans DA, Lee MP, Parkinson GN, Neidle S.
    Journal: Bioorg Med Chem Lett; 2006 Jan 01; 16(1):15-9. PubMed ID: 16263285.
    Abstract:
    The crystal structure of the DNA minor groove biphenyl benzimidazole diamidine ligand DB819 has been determined, bound to the DNA sequence d(CGCGAATTCGCG)(2), at a resolution of 1.36 Angstrom. Conditions for reliable in silico docking that reproduce the observed position of the ligand in the minor groove have been determined.
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