Theoretical models of pentamidine analogs activity based on their DNA minor groove complexes.


The B-DNA binding property of pentamidine analogs was analyzed employing molecular dynamic simulations and UV-vis absorption spectroscopy. Their AATT and ATAT sequence preferences were also examined. In theoretical energy computations, we considered two solvation models: the implicit model I, where the solvent is characterized by a dielectric constant and… (More)
DOI: 10.1016/j.ejmech.2010.01.047


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