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.
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Krawczyk K,Sim AY,Knapp B,Deane CM,Minary Pdoi
10.1021/acs.jcim.6b00152subject
Has Abstractpub_date
2016-09-26 00:00:00pages
1746-54issue
9eissn
1549-9596issn
1549-960Xjournal_volume
56pub_type
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