User contributions for Jklyu
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31 March 2021
- 18:0318:03, 31 March 2021 diff hist +43 N Coloring and Subcluster Matching Created page with "Written by Jiankun Lyu on March 31st, 2021."
- 17:2917:29, 31 March 2021 diff hist +39 DOCK 3.7 No edit summary
15 November 2019
- 21:5421:54, 15 November 2019 diff hist +131 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES
12 October 2019
- 21:4921:49, 12 October 2019 diff hist +231 Generating extrema set No edit summary
- 21:3821:38, 12 October 2019 diff hist +7 Generating extrema set No edit summary
- 21:3821:38, 12 October 2019 diff hist 0 Generating extrema set No edit summary
- 21:3421:34, 12 October 2019 diff hist +299 Generating extrema set No edit summary
- 21:3021:30, 12 October 2019 diff hist +378 Generating extrema set No edit summary
- 21:2521:25, 12 October 2019 diff hist +175 Generating extrema set No edit summary
- 21:2121:21, 12 October 2019 diff hist +695 Generating extrema set No edit summary
- 21:1821:18, 12 October 2019 diff hist +293 Generating extrema set No edit summary
- 21:1521:15, 12 October 2019 diff hist +33 Generating extrema set No edit summary
- 21:1421:14, 12 October 2019 diff hist 0 N File:Download.png No edit summary current
- 21:1321:13, 12 October 2019 diff hist +180 Generating extrema set No edit summary
- 21:1321:13, 12 October 2019 diff hist 0 N File:Plus2.png No edit summary current
- 21:1221:12, 12 October 2019 diff hist 0 N File:Plus1.png No edit summary current
- 21:1221:12, 12 October 2019 diff hist +220 Generating extrema set No edit summary
- 21:1121:11, 12 October 2019 diff hist 0 N File:0.png No edit summary current
- 21:1021:10, 12 October 2019 diff hist 0 N File:Minus1.png No edit summary current
- 21:0621:06, 12 October 2019 diff hist +22 Generating extrema set No edit summary
- 21:0321:03, 12 October 2019 diff hist +29 N File:Minus2.png extrema_set_goldilocks_minus2 current
- 21:0221:02, 12 October 2019 diff hist +388 Generating extrema set No edit summary
- 19:2119:21, 12 October 2019 diff hist +949 N Generating extrema set Created page with "Written by Jiankun Lyu, 2019/10/12 extrema_set_gen------- working | |------ ZINC-downloader-3D-smi.database_..."
- 19:0919:09, 12 October 2019 diff hist +29 DOCK 3.7 No edit summary
5 August 2019
19 March 2019
- 18:1918:19, 19 March 2019 diff hist 0 Bemis-Murcko Scaffold Analysis No edit summary current
15 March 2019
- 23:2023:20, 15 March 2019 diff hist +1 March2019 protocol No edit summary
- 18:4918:49, 15 March 2019 diff hist −24 Filtering ligands for novelty No edit summary current
9 June 2018
- 20:2520:25, 9 June 2018 diff hist +45 Whole Library TC to Knowns Calculations No edit summary current
24 May 2018
- 20:4720:47, 24 May 2018 diff hist +245 Whole Library TC to Knowns Calculations No edit summary
- 20:4320:43, 24 May 2018 diff hist +292 Whole Library TC to Knowns Calculations No edit summary
- 20:2720:27, 24 May 2018 diff hist +583 Whole Library TC to Knowns Calculations No edit summary
- 20:2020:20, 24 May 2018 diff hist +326 Whole Library TC to Knowns Calculations No edit summary
- 19:5319:53, 24 May 2018 diff hist +814 Whole Library TC to Knowns Calculations No edit summary
- 17:0117:01, 24 May 2018 diff hist +32 N Whole Library TC to Knowns Calculations Created page with "Written by Jiankun Lyu, 20180524"
- 16:5916:59, 24 May 2018 diff hist +46 DOCK 3.7 →Post Docking Filters
9 March 2018
- 23:1123:11, 9 March 2018 diff hist +1 Visualize docking grids No edit summary
- 23:1023:10, 9 March 2018 diff hist +65 Visualize docking grids No edit summary
- 23:0923:09, 9 March 2018 diff hist +253 Visualize docking grids No edit summary
- 23:0423:04, 9 March 2018 diff hist +347 Visualize docking grids No edit summary
- 22:5722:57, 9 March 2018 diff hist +195 N Visualize docking grids Created page with "Written by Jiankun Lyu, 20180309 1) Convert grids into a format that Chimera can read in 1.1) The vdw grid 1.2) The electrostatic grid 1.3) The desolvation grid 2) Visual..."
- 22:5222:52, 9 March 2018 diff hist +30 DOCK 3.7 →Prepare Receptor
7 March 2018
- 21:3521:35, 7 March 2018 diff hist +170 TC analog searching in ZINC No edit summary
- 21:3221:32, 7 March 2018 diff hist +548 N TC analog searching in ZINC Created page with "Written by Jiankun Lyu, 2018/03/07 1) Create a directory for your searching results. mkdir tc_analog_searching cd tc_analog_searching 2) Create a file that contains ZINC I..."
- 21:2521:25, 7 March 2018 diff hist +7 DOCK 3.7 →Analog by Catalog
- 21:2321:23, 7 March 2018 diff hist +27 DOCK 3.7 →Analog by Catalog
1 December 2017
- 22:3322:33, 1 December 2017 diff hist +4 How to process results from a large-scale docking →Cluster results
24 October 2017
- 22:4822:48, 24 October 2017 diff hist −41 How to process results from a large-scale docking →Get poses of cluster heads
- 22:4722:47, 24 October 2017 diff hist +269 How to process results from a large-scale docking →Get poses of cluster heads
- 22:4422:44, 24 October 2017 diff hist −22 How to process results from a large-scale docking →Get poses of cluster heads