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Showing 1–7 of 7 results
Advanced filters: Author: Andras Boeszoermenyi Clear advanced filters
  • VirtualFlow, an open-source drug discovery platform, enables the efficient preparation and virtual screening of ultra-large ligand libraries to identify molecules that bind with high affinity to target proteins.

    • Christoph Gorgulla
    • Andras Boeszoermenyi
    • Haribabu Arthanari
    Research
    Nature
    Volume: 580, P: 663-668
  • Correlating aromatic carbons attached to fluorine with meta-position hydrogens in fluorine-labelled phenylalanines can yield two-dimensional correlations with narrow linewidths in large proteins. Adapting phenylalanine-tRNA synthetase increases the incorporation rate, while expanding the genetic code enables site-specific incorporation of fluorinated phenylalanine. The resulting HCF-transverse relaxation-optimized spectroscopy can illuminate protein dynamics and drive multiplexed drug discovery campaigns.

    • Andras Boeszoermenyi
    • Denitsa L. Radeva
    • Haribabu Arthanari
    Research
    Nature Chemistry
    Volume: 17, P: 835-846
  • Structure determination of large proteins by solution state NMR is challenging due to spectral overlap. Here the authors present a labeling strategy using 2-13C and 3-13C pyruvate as carbon source for E. coli, which increases the effective resolution of triple-resonance HNCA experiments and helps to overcome this problem.

    • Scott A. Robson
    • Koh Takeuchi
    • Haribabu Arthanari
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-11
  • A small molecule, inhibitor of a protein–protein interaction between the transcription factor Pdr1 and the Med15 subunit of Mediator in the fungal pathogen Candida glabrata, is identified and characterized here; the compound iKIX1 inhibits Pdr1-mediated gene activation and resensitizes drug-resistant C. glabrata to azole antifungals in vitro and in animal models of disseminated and urinary tract infection.

    • Joy L. Nishikawa
    • Andras Boeszoermenyi
    • Haribabu Arthanari
    Research
    Nature
    Volume: 530, P: 485-489