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Showing 1 to 3 of 3 for “"virtual docking"”.

  1. Structural and ligand binding studies of toll-like receptor 4 (TLR4) associated proteins

    … additional ligand binding structural studies, virtual docking studies, and drug design efforts thus allowing therapeutic intervention at an early step in the signaling cascade. Additionally, we utilized yeast display and flow cytometry to detect binding of Der p 2 to LPS and created a novel …

    uiuc Repository record for Structural and ligand binding studies of toll-like receptor 4 (TLR4) associated proteins (opens in a new tab)

  2. Characterization of Selective Inhibition of Adenylyl Cyclase Activity By Small Molecule Inhibitor Nky80

    … the catalytic site.</p> <p>A structure-based virtual screen of the AC catalytic site was used to identify novel small molecule AC inhibitors. Identified novel inhibitors are isoform selective, supporting the catalytic site as a region capable of more potent isoform selective inhibition. …

    uthsc Repository record for Characterization of Selective Inhibition of Adenylyl Cyclase Activity By Small Molecule Inhibitor Nky80 (opens in a new tab)

  3. Optimización de insecticidas de uso doméstico: Activos alternativos a los Piretroides y Sinergistas en la formulación

    … la aplicación de técnicas avanzadas de cribado virtual (Virtual Screening, VS) y modelado molecular para identificar alternativas a los piretroides, que son los principales insecticidas neurotóxicos actualmente utilizados. El trabajo se contextualiza dentro del marco regulatorio establecido por …

    murcia-diss Repository record for Optimización de insecticidas de uso doméstico: Activos alternativos a los Piretroides y Sinergistas en la formulación (opens in a new tab)