Journal Article

FZJ-2015-03606

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Counterion Redistribution upon Binding of a Tat-Protein Mimic to HIV-1 TAR RNA

Do, T. N. ; Ippoliti, E.FZJ* ; Carloni, P. (Corresponding Author)FZJ* ; Varani, G. ; Parrinello, M.

2012
American Chemical Society (ACS) Washington, DC

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Please use a persistent id in citations: doi:10.1021/ct2005769

Abstract: Binding of proteins and small molecules to RNA involves many electrostatic interactions, which may alter the distribution of ions around the RNA molecule. Here, we use molecular dynamics simulations to investigate how binding of a cyclic peptide mimic of the HIV-1 Tat protein affects the ionic distribution around the HIV-1 TAR RNA element. The calculations reproduce the structural properties observed in NMR studies of TAR and its complex. They also provide insight into the rearrangement of counterions during the molecular recognition events leading to the formation of the protein/RNA complex

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Contributing Institute(s):

1. GRS (GRS)
2. Computational Biomedicine (IAS-5)

Research Program(s):

1. 899 - ohne Topic (POF2-899) (POF2-899)

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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