AutoGrow4 without docking

Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › AutoGrow4 without docking

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    • May 17, 2022 at 12:38 pm #99509 Reply
      Wout_Van_Eynde
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      Dear

      Is it possible to run AutoGrow4 without docking, e.g. when the target isn’t known or hasn’t a validated structure? If yes, how would one do this and would you recommend this? I guess it is done by adjusting the .json file to that extent, but I am not too sure.

      I have no experience in AI nor in programming, just a great interest in this field, so excuse me for the lack of knowledge.

      Warm regards,
      Wout Van Eynde, student at KU Leuven

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