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Thomas NO et al
Figures were created with UCSF Chimera and ChimeraX, developed by the Resource for Biocomputing, Visualization, and Informatics at the University of California, San Francisco, with support from National Institutes of Health R01-GM129325 and the Office of Cyber Infrastructure and Computational Biology, National Institute of Allergy and Infectious Diseases
They chose to synthesize new molecules derived from N (1alkyl3cyano1 H indol5yl) to repair the missing hydrogen bond interaction between the 3cyano residue and Asn768 of XO, shortening its distance, which through molecular docking and molecular dynamics studies proved its presence
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