User contributions for Rstein
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3 May 2019
- 23:3423:34, 3 May 2019 diff hist +4 Generating decoys (Reed's way) No edit summary
- 23:3023:30, 3 May 2019 diff hist +4 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 23:3023:30, 3 May 2019 diff hist +66 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 23:2523:25, 3 May 2019 diff hist +9 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:2523:25, 3 May 2019 diff hist +738 Generating decoys (Reed's way) →Step 3) Assigning decoys to ligands
- 23:2323:23, 3 May 2019 diff hist +73 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:2323:23, 3 May 2019 diff hist +93 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:2123:21, 3 May 2019 diff hist −41 Generating decoys (Reed's way) →Step 3) Assigning decoys to ligands
- 23:2123:21, 3 May 2019 diff hist +15 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 23:2023:20, 3 May 2019 diff hist +4 Generating decoys (Reed's way) →Visualizing decoy Tanimotos to ligands
- 23:2023:20, 3 May 2019 diff hist +4 Generating decoys (Reed's way) →Visualizing property distributions
- 23:1923:19, 3 May 2019 diff hist −33 Generating decoys (Reed's way) →Step 3) Assigning accepted SMILES decoys to ligand protomers
- 23:1923:19, 3 May 2019 diff hist +13 Generating decoys (Reed's way) →Step 3) Removing SMILES decoys that are too similar to known ligands
- 23:1823:18, 3 May 2019 diff hist −9 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES
- 23:1723:17, 3 May 2019 diff hist −600 Generating decoys (Reed's way) No edit summary
- 23:1723:17, 3 May 2019 diff hist −15 Generating decoys (Reed's way) →Step 3) Removing SMILES decoys that are too similar to known ligands
- 23:1723:17, 3 May 2019 diff hist −27 Generating decoys (Reed's way) →Step 2) Retrieving SMILES decoys from ZINC15
- 23:1623:16, 3 May 2019 diff hist +457 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 23:1223:12, 3 May 2019 diff hist +4 Generating decoys (Reed's way) →Step 4) Copying decoy .db2.gz files into your directories
- 23:1123:11, 3 May 2019 diff hist +4 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:1123:11, 3 May 2019 diff hist +689 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:0623:06, 3 May 2019 diff hist +136 Generating decoys (Reed's way) →Step 1) Setting up directories for Protomers
- 23:0523:05, 3 May 2019 diff hist 0 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 23:0523:05, 3 May 2019 diff hist −344 Generating decoys (Reed's way) No edit summary
- 23:0523:05, 3 May 2019 diff hist −29 Generating decoys (Reed's way) →Step 2) Retrieving protomer decoys from ZINC15
- 23:0423:04, 3 May 2019 diff hist +17 Generating decoys (Reed's way) No edit summary
- 23:0423:04, 3 May 2019 diff hist +165 Generating decoys (Reed's way) →Step 1) Setting up directories for Protomers
22 April 2019
- 18:0918:09, 22 April 2019 diff hist +44 Using thin spheres in DOCK3.7 No edit summary
16 April 2019
- 23:0323:03, 16 April 2019 diff hist +132 Using thin spheres in DOCK3.7 No edit summary
- 22:4622:46, 16 April 2019 diff hist +59 How to do parameter scanning →Blastermaster Parameter Scanning
- 22:4622:46, 16 April 2019 diff hist +162 How to do parameter scanning →Blastermaster Parameter Scanning
- 20:0820:08, 16 April 2019 diff hist +139 Using thin spheres in DOCK3.7 No edit summary
15 April 2019
- 16:5216:52, 15 April 2019 diff hist +7 How to do parameter scanning No edit summary
- 16:5216:52, 15 April 2019 diff hist +12 How to do parameter scanning No edit summary
- 15:5915:59, 15 April 2019 diff hist +117 How to do parameter scanning No edit summary
- 15:5415:54, 15 April 2019 diff hist +1,649 How to do parameter scanning No edit summary
12 April 2019
- 19:0219:02, 12 April 2019 diff hist +92 Adding Static Waters to the Protein Structure No edit summary current
- 19:0019:00, 12 April 2019 diff hist +12 Adding Static Waters to the Protein Structure No edit summary
- 19:0019:00, 12 April 2019 diff hist +155 Adding Static Waters to the Protein Structure No edit summary
4 April 2019
- 18:0918:09, 4 April 2019 diff hist +25 Protein Target Preparation →Ligand Desolvation
- 18:0818:08, 4 April 2019 diff hist +2 Protein Target Preparation →Electrostatics
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