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Tertiary element interaction in HIV-1 TAR

Abstract:
HIV-1 replication requires binding to occur between Trans-activation Response Element (TAR) RNA and the TAT protein. This TAR-TAT binding depends on the conformation of TAR, and therapeutic development has attempted to exploit this dynamic behavior. Here we simulate TAR dynamics in the context of mutations inhibiting TAR binding. We find that two tertiary elements, the apical loop and the bulge, can interact directly, and this interaction may be linked to the affinity of TAR for TAT.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.jcim.6b00152

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Computer Science
Role:
Author
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Institution:
University of Oxford
Division:
MPLS
Department:
Statistics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Computer Science
Role:
Author


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Grant:
Joint Council Office (JCO) Career Development Award (project number 15302FG145) to A.Y.L.S


Publisher:
American Chemical Society
Journal:
Journal of Chemical Information and Modeling More from this journal
Volume:
56
Issue:
9
Pages:
1746-1754
Publication date:
2016-08-08
Acceptance date:
2016-08-08
DOI:
EISSN:
1549-960X
ISSN:
1549-9596
Pmid:
27500460


Language:
English
Keywords:
Pubs id:
pubs:638634
UUID:
uuid:1a87c109-bde2-4bb2-9702-acfca95fa641
Local pid:
pubs:638634
Source identifiers:
638634
Deposit date:
2016-10-09

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