Selected article for: "active site and binding site"

Author: Kuban-Jankowska, Alicja; Sahu, Kamlesh K; Niedzialkowski, Pawel; Gorska, Magdalena; Tuszynski, Jack A; Ossowski, Tadeusz; Wozniak, Michal
Title: Redox process is crucial for inhibitory properties of aurintricarboxylic acid against activity of YopH: virulence factor of Yersinia pestis
  • Document date: 2015_7_22
  • ID: 1irvzt8v_10
    Snippet: We decided to evaluate the effectiveness of ATA as YopH inhibitor and to study possible mechanisms of ATA induced inactivation, as well as electrochemical properties of ATA. We performed computational docking and molecular dynamic studies to gain a molecular-level insight into the binding affinities and conformations of ATA in the YopH active site......
    Document: We decided to evaluate the effectiveness of ATA as YopH inhibitor and to study possible mechanisms of ATA induced inactivation, as well as electrochemical properties of ATA. We performed computational docking and molecular dynamic studies to gain a molecular-level insight into the binding affinities and conformations of ATA in the YopH active site.

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