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Showing 1–4 of 4 results
Advanced filters: Author: Trent E. Balius Clear advanced filters

  • Using a make-on-demand library that contains hundreds-of-millions of molecules, structure-based docking was used to identify compounds that, after synthesis and testing, are shown to interact with AmpC β-lactamase and the D4 dopamine receptor with high affinity.

    • Jiankun Lyu
    • Sheng Wang
    • John J. Irwin
    Research
    Nature
    Volume: 566, P: 224-229

  • Structure-based docking screens of compound libraries are common in early drug and probe discovery. This protocol outlines best practices and control calculations to evaluate docking parameters prior to undertaking a large-scale prospective screen.

    • Brian J. Bender
    • Stefan Gahbauer
    • Brian K. Shoichet
    Protocols
    Nature Protocols
    Volume: 16, P: 4799-4832

  • Structural analysis and molecular dynamics of the RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric binding of RAF1 to HSP90, a bridging role for CDC37, HSP90’s structural rearrangements, and interactions of HSP90 with unfolded regions of RAF1.

    • Lorenzo I. Finci
    • Mayukh Chakrabarti
    • Dhirendra K. Simanshu
    ResearchOpen Access
    Communications Biology
    Volume: 7, P: 1-18