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Molecular Dynamics Simulations of PNA Nano-Probes Selectively Binding DNA

A. Pugliese and C.A. Laughton
university of nottingham, UK

Keywords:
DNA, PNA, molecular dynamics, probe

Abstract:
I attach a manuscript we would like to be considered for poster presentation during Nanotech 2006 . It describes molecular modelling studies that explain experimental observations regarding the relative affinities of a novel type of peptide nucleic acid for DNA and RNA. The design and synthesis of artificial mimics of nucleic acids with unusual recognition properties has intrigued a sizeable community of organic chemists for over ten years, from the pioneering studies of Neilsen. The potential of such agents in functional genomics and as novel therapeutic agents has been one of the strong motivations for this. Recent work from David Corey’s group, showing in vivo activity for such compounds, has been particularly heartening. For these reasons we feel that this work should prove to be of considerable interest to a broad contingent of the participants of Nanotech 2006.

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