User contributions for Rstein
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4 April 2019
3 April 2019
- 22:3122:31, 3 April 2019 diff hist +5,645 Protein Target Preparation No edit summary
5 March 2019
- 00:2100:21, 5 March 2019 diff hist +8 Tutorial on running Molecular Dynamics for GIST grid generation →Combining GIST grids current
- 00:2000:20, 5 March 2019 diff hist +286 Tutorial on running Molecular Dynamics for GIST grid generation →Combining GIST grids
4 March 2019
- 18:5318:53, 4 March 2019 diff hist +9 Tutorial on running Molecular Dynamics for GIST grid generation →Run convergence analysis
- 18:5218:52, 4 March 2019 diff hist +221 Tutorial on running Molecular Dynamics for GIST grid generation →Run GIST post processing
28 February 2019
- 21:2121:21, 28 February 2019 diff hist −75 Tutorial on running Molecular Dynamics for GIST grid generation →Run AMBER
25 February 2019
- 20:0120:01, 25 February 2019 diff hist +21 Tutorial on running Molecular Dynamics for GIST grid generation →Run AMBER
- 20:0020:00, 25 February 2019 diff hist +112 Tutorial on running Molecular Dynamics for GIST grid generation →Run AMBER
7 February 2019
- 01:1201:12, 7 February 2019 diff hist +237 Generating decoys (Reed's way) No edit summary
31 October 2018
- 19:0819:08, 31 October 2018 diff hist +386 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
14 September 2018
- 23:0723:07, 14 September 2018 diff hist +1 Generating decoys (Reed's way) →Step 5) Copying decoy .db2.gz files into your directories
- 23:0723:07, 14 September 2018 diff hist −45 Generating decoys (Reed's way) →Step 5) Copying decoy .db2.gz files into your directories
- 23:0623:06, 14 September 2018 diff hist −7 Generating decoys (Reed's way) →Step 1) Setting up SMILES directories for Protomers
- 21:5621:56, 14 September 2018 diff hist +1 Generating decoys (Reed's way) →Step 1) Setting up SMILES directories for Protomers
- 21:5521:55, 14 September 2018 diff hist +95 Generating decoys (Reed's way) →Step 1) Setting up SMILES directories for Protomers
- 21:5221:52, 14 September 2018 diff hist +2,956 Generating decoys (Reed's way) No edit summary
6 June 2018
- 18:0418:04, 6 June 2018 diff hist +56 DOCK 3.7 tart No edit summary current
5 June 2018
- 18:3818:38, 5 June 2018 diff hist +12 DOCK 3.7 tart →Quick Tarting
25 April 2018
- 23:1323:13, 25 April 2018 diff hist +377 Generating decoys (Reed's way) No edit summary
- 23:1023:10, 25 April 2018 diff hist −100 Generating decoys (Reed's way) →Copying decoy .db2.gz files into your directories
- 23:0523:05, 25 April 2018 diff hist +6 Generating decoys (Reed's way) →Copying decoy .db2.gz files into your directories
- 23:0523:05, 25 April 2018 diff hist +75 Generating decoys (Reed's way) →Copying decoy .db2.gz files into your directories
- 22:5322:53, 25 April 2018 diff hist +366 Generating decoys (Reed's way) →Setting up SMILES directory
19 April 2018
- 00:1000:10, 19 April 2018 diff hist +269 Generating decoys (Reed's way) No edit summary
18 April 2018
- 22:4422:44, 18 April 2018 diff hist +123 Generating decoys (Reed's way) No edit summary
- 20:5820:58, 18 April 2018 diff hist +136 Generating decoys (Reed's way) →Setting up SMILES directory
6 April 2018
- 21:1921:19, 6 April 2018 diff hist +377 Generating decoys (Reed's way) No edit summary
- 18:0618:06, 6 April 2018 diff hist +1 Generating decoys (Reed's way) →Setting up SMILES directory
- 18:0518:05, 6 April 2018 diff hist +2 Generating decoys (Reed's way) →Setting up SMILES directory
- 18:0318:03, 6 April 2018 diff hist +1 Generating decoys (Reed's way) →Setting up SMILES directory
- 16:2616:26, 6 April 2018 diff hist −196 Generating decoys (Reed's way) No edit summary
- 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