Research + Discoveries

  • Hargrove Lab Screens Against RNA Targets

    The Hargrove Lab has created a general, high throughput technique for screening small molecule probes against different RNA targets using a fluorescence indicator displacement (FID) assay. Learn more about their fast and convenient method to simultaneously evaluate small molecule libraries against different RNA targets and classify them based on affinity and selectivity patterns in a recent Organic & Biomolecular Chemistry article here

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  • Reaction Mechanisms in Single Molecule Mechanochemistry

    Graduate student Meredith Barbee and co-workers in the Craig lab and at Texas State have used a mixture of classical physical organic methodology and contemporary single molecule spectroscopy to tease out mechanistic details of a reaction occurring under large mechanical forces. Their

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  • Unraveling Important Constraints on the Mechanisms for Redox Signaling in DNA Replication and Repair

    Agostino Migliore, Darius Teo and additional members of the Beratan Lab, with collaborators at USC, take an important step towards understanding intracellular redox signaling at the core of DNA repair and replication processes. Experiments suggesting a role for DNA charge transport in mediating such signaling have been the subject of a heated debated in recent literature. The lab has demonstrated that charge transfer between a [4Fe4S] protein and a nucleic acid duplex is unidirectional.

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  • Yang Lab Describing Correlation with Fractional-spin Correction in DFT

    The static correlation error inherent in commonly used density functional approximations (DFAs) has seriously hindered the application of density functional theory (DFT) to strongly correlated systems. Here, an effective fractional-spin correction against the important issue of static/strong correlation in DFT is developed.

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  • Hargrove Lab Searches for Small Molecules that Selectively Engage Binding Pockets of RNA

    While the majority of small molecule chemical probes and drugs to date modulate the action of proteins, the Hargrove Lab is searching for small molecules that selectively engage binding pockets of RNA. In their most recent work, the group discovered the first ligands for the triple helix structure of an oncogenic long non-coding RNA MALAT1. The synthesis, evaluation and computational analysis of these novel small molecules revealed trends between small molecule shapes and their binding behavior.

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