Article
Molecular dynamics study of the recognition of ATP by nucleic acid aptamers.
Nucleic acids research - 9 Jul 2020
Xie Ya-Chen, Eriksson Leif A, Zhang Ru-Bo
Abstract excerpt
Despite their great success in recognizing small molecules in vitro, nucleic acid aptamers are rarely used in clinical settings. This is partially due to the lack of structure-based mechanistic information. In this work, atomistic molecular dynamics simulations are used to study the static and dynamic supramolecular structures relevant to the process of the wild-type (wt) nucleic acid aptamer recognition and...
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