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• TC analog searching in ZINC
  1) Create a directory for your searching results. 2) Create a file that contains ZINC IDs of all the molecules you want to search for.
  731 bytes (124 words) - 22:13, 7 March 2018

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• Wuxi make-on-demand
  To search the WuXi make on demand library before it has been loaded into ZINC, please proceed as follows. use the script in ~xyz/wuxi/searchwuxiparallel.csh
  772 bytes (128 words) - 20:30, 4 June 2018
• DOCK 3.7
  DOCK 3.7 the current version in the [[DOCK 3]] series of docking programs developed and used by the [[Shoic DOCK 3.7 is written in Fortran and some C. It is an update of [[DOCK 3.6]] with many improved feat
  6 KB (844 words) - 17:03, 27 July 2021
• Generating decoys (Reed's way)
  ...s for a set of ligand SMILES. To build ligands yourself, see "ligand prep" in: All scripts for this tutorial can be found in:
  14 KB (2,220 words) - 07:49, 23 September 2022