Cation binding to 15-TBA quadruplex DNA is a multiple-pathway cation-dependent process
A combination of explicit solvent molecular dynamics simulation (30 simulations reaching 4 µs in total), hybrid quantum mechanics/molecular mechanics approach and isothermal titration calorimetry was used to investigate the atomistic picture of ion binding to 15-mer thrombin-binding quadruplex DNA (...
Main Authors: | Reshetnikov, Roman V., Sponer, Jiri, Rassokhina, Olga I., Kopylov, Alexei M., Tsvetkov, Philipp O., Makarov, Alexander A., Golovin, Andrey V. |
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Format: | Online |
Language: | English |
Published: |
Oxford University Press
2011
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Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239185/ |
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