start:software:topical:lifesciences:molecular_screening

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start:software:topical:lifesciences:molecular_screening [2021/06/21 16:59]
mariedl [Unsing the ZINC Database]
start:software:topical:lifesciences:molecular_screening [2021/06/22 13:28] (current)
mariedl [Rescreen Best Results with new Targets]
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 ===== Rescreen Best Results with new Targets ===== ===== Rescreen Best Results with new Targets =====
-Specify your rescreening targets in the configfile in line 66. +Specify your rescreening targets in the configfile in line 66. The best percentage of ligands from the first step, will be screened against these new targets. An output file containing the union of all best ligands and corresponding binding enthalpy.
  
 <code yaml> <code yaml>
  • start/software/topical/lifesciences/molecular_screening.txt
  • Last modified: 2021/06/22 13:28
  • by mariedl