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Title: Movie for: The architecture of the 10-23 DNAzyme and its implications for DNA-mediated catalysis
Authors: Christoph, Gertzen
Jan, Borggräfe
Aldino, Viegas
Manuel, Etzkorn
Holger, Gohlke
Keywords: structural dynamics
10-23 DNAzyme
molecular dynamics simulations
Issue Date: 19-Sep-2022
Publisher: N/A
Abstract: Understanding the molecular features of catalytically active DNA sequences, so-called DNAzymes, is not only essential for our understanding of the fundamental properties of catalytic nucleic acids in general but may well be the key to unraveling their full potential via tailored modifications. Our recent findings contributed to the endeavor to assemble a mechanistic picture of DNA-mediated catalysis by providing high-resolution structural insights into the 10-23 DNAzyme (Dz) and exposing a complex interplay between the Dz´s unique molecular architecture, conformational plasticity, and dynamic modulation by metal ions as central elements of the DNA catalyst. To illustrate the sampled conformational space, the movie depicts one MD trajectory of the Dz:RNA complex.
Appears in Collections:Computational Pharmaceutical Chemistry and Molecular Informatics Group

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10-23_DNAzyme_catalysis.aviMovie18.32 MBUnknownView/Open
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