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  • Title: Molecular docking of porphyrins with cationic limbs on intramolecular G-quadruplex.
    Author: Ishikawa Y, Higashi E, Morioka H.
    Journal: Nucleic Acids Symp Ser (Oxf); 2007; (51):247-8. PubMed ID: 18029679.
    Abstract:
    We performed molecular docking simulations of porphyrins with cationic limbs on an intramolecular anti-parallel G-quadruplex and molecular dynamics simulations for the model complexes to explore plausible binding regions and modes. With grid-based scoring, GB/SA scoring and MM-PBSA method, two low-energy binding regions, a groove and a loop, for the porphyrins were identified.
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