The ability of the docking program AutoDock in studying the binding of small molecules to DNA is examined. Herein, we report molecular dynamic studies with the relaxed complex method applied to DNA, and viscosimetric titration results, performed to investigate a possible DNA-binding mode of a model compound of the previously reported "two armed" class of binders.
DNA Binders: 2. Molecular Recognition of DNA by 2,3,6,7-tetrahydro-1Hpyrrolo[1,2-a]indole-1,8(5H)-dione bis(4,5-dihydro-1H-imidazol-2-yl-hydrazone) as a Prototype of Two-Armed Intercalating Agents
R Dallocchio;
2009
Abstract
The ability of the docking program AutoDock in studying the binding of small molecules to DNA is examined. Herein, we report molecular dynamic studies with the relaxed complex method applied to DNA, and viscosimetric titration results, performed to investigate a possible DNA-binding mode of a model compound of the previously reported "two armed" class of binders.File in questo prodotto:
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