Ontology highlight
ABSTRACT:
SUBMITTER: Stelzer AC
PROVIDER: S-EPMC3319144 | biostudies-literature | 2011 Jun
REPOSITORIES: biostudies-literature
Stelzer Andrew C AC Frank Aaron T AT Kratz Jeremy D JD Swanson Michael D MD Gonzalez-Hernandez Marta J MJ Lee Janghyun J Andricioaei Ioan I Markovitz David M DM Al-Hashimi Hashim M HM
Nature chemical biology 20110626 8
Current approaches used to identify protein-binding small molecules are not suited for identifying small molecules that can bind emerging RNA drug targets. By docking small molecules onto an RNA dynamic ensemble constructed by combining NMR spectroscopy and computational molecular dynamics, we virtually screened small molecules that target the entire structure landscape of the transactivation response element (TAR) from HIV type 1 (HIV-1). We quantitatively predict binding energies for small mol ...[more]