User contributions for Rstein
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6 April 2018
- 00:1100:11, 6 April 2018 diff hist −2 Generating decoys (Reed's way) →Retrieving decoys from ZINC15
- 00:1100:11, 6 April 2018 diff hist +15 Generating decoys (Reed's way) →Retrieving decoys from ZINC15
- 00:0400:04, 6 April 2018 diff hist +107 Generating decoys (Reed's way) →Assigning accepted decoys to each ligand protomer
- 00:0100:01, 6 April 2018 diff hist −113 Generating decoys (Reed's way) →Assigning accepted decoys to each ligand protomer
5 April 2018
- 22:0222:02, 5 April 2018 diff hist +157 Generating decoys (Reed's way) →Retrieving decoys from ZINC15
4 April 2018
- 23:3823:38, 4 April 2018 diff hist +466 Generating decoys (Reed's way) No edit summary
- 21:3421:34, 4 April 2018 diff hist −2 Generating decoys (Reed's way) →Copying decoy .db2.gz files into your directories
- 21:3421:34, 4 April 2018 diff hist 0 Generating decoys (Reed's way) →Retrieving Decoys from ZINC15
- 21:3321:33, 4 April 2018 diff hist 0 Generating decoys (Reed's way) →Removing Decoys that are too similar to known ligands
- 21:0621:06, 4 April 2018 diff hist +1 Generating decoys (Reed's way) →Retrieving Decoys from ZINC15
- 21:0321:03, 4 April 2018 diff hist +213 Generating decoys (Reed's way) →Assigning accepted decoys to each ligand protomer
- 21:0221:02, 4 April 2018 diff hist +266 Generating decoys (Reed's way) →Retrieving Decoys from ZINC15
3 April 2018
- 21:1721:17, 3 April 2018 diff hist +3,430 N Generating decoys (Reed's way) Created page with "Written on April 3, 2018. All scripts for this tutorial can be found in: /mnt/nfs/home/rstein/zzz.scripts/DUDE_SCRIPTS/ == Input SMILES file == Starting with a SMILES f..."
- 20:4720:47, 3 April 2018 diff hist +37 DOCK 3.7 →Prepare Screening Library
12 December 2017
- 23:3723:37, 12 December 2017 diff hist +30 DOCK 3.7 tart No edit summary
- 23:3623:36, 12 December 2017 diff hist +10 DOCK 3.7 tart No edit summary
- 23:3623:36, 12 December 2017 diff hist −5 DOCK 3.7 tart No edit summary
- 23:3523:35, 12 December 2017 diff hist +1,085 DOCK 3.7 tart No edit summary