User contributions for Jklyu
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18 September 2017
- 23:5423:54, 18 September 2017 diff hist +43 Bemis-Murcko Scaffold Analysis No edit summary
- 23:5123:51, 18 September 2017 diff hist +1 Bemis-Murcko Scaffold Analysis No edit summary
- 23:5123:51, 18 September 2017 diff hist +555 Bemis-Murcko Scaffold Analysis No edit summary
- 23:4623:46, 18 September 2017 diff hist +26 Large-scale SMILES Requesting and Fingerprints Converting No edit summary
- 23:3923:39, 18 September 2017 diff hist +666 Bemis-Murcko Scaffold Analysis No edit summary
- 23:3523:35, 18 September 2017 diff hist +871 Bemis-Murcko Scaffold Analysis No edit summary
- 23:2723:27, 18 September 2017 diff hist +186 Large-scale TC Calculations No edit summary
- 23:2023:20, 18 September 2017 diff hist +762 Large-scale TC Calculations No edit summary
- 23:0923:09, 18 September 2017 diff hist +190 N Large-scale TC Calculations Created page with "Written by Jiankun Lyu, 20170918 Please run Large-scale SMILES Requesting and Fingerprints Converting first to get the SMILES and fingerprints files, then run the TC calc..."
- 23:0523:05, 18 September 2017 diff hist −36 DOCK 3.7 No edit summary
- 23:0523:05, 18 September 2017 diff hist +2,874 N Large-scale SMILES Requesting and Fingerprints Converting Created page with "Written by Jiankun Lyu, 20170918 The hierarchy of the directories: smiles_requesting/----- working/ | | | |----..."
- 23:0423:04, 18 September 2017 diff hist 0 DOCK 3.7 No edit summary
- 23:0323:03, 18 September 2017 diff hist +64 DOCK 3.7 No edit summary
- 23:0123:01, 18 September 2017 diff hist +563 Large-scale SMILES requesting No edit summary current
- 22:4422:44, 18 September 2017 diff hist +190 Large-scale SMILES requesting No edit summary
- 22:3922:39, 18 September 2017 diff hist +152 Large-scale SMILES requesting No edit summary
- 22:3322:33, 18 September 2017 diff hist +186 Large-scale SMILES requesting No edit summary
- 22:2522:25, 18 September 2017 diff hist +612 Large-scale SMILES requesting No edit summary
- 22:1922:19, 18 September 2017 diff hist +115 Large-scale SMILES requesting No edit summary
- 22:1822:18, 18 September 2017 diff hist +880 Large-scale SMILES requesting No edit summary
- 21:5921:59, 18 September 2017 diff hist +20 Large-scale SMILES requesting No edit summary
- 21:5821:58, 18 September 2017 diff hist +156 N Large-scale SMILES requesting Created page with "Written by Jiankun Lyu, 20170918 This tutorial is for requesting a large number of SMILES from ZINC server. Usually, the number is larger than 5M ZINC IDs."
- 21:5421:54, 18 September 2017 diff hist +36 DOCK 3.7 →Post Docking Clustering
- 21:5321:53, 18 September 2017 diff hist +59 N Bemis-Murcko Scaffold Analysis Created page with "= Getting SMILES for ZINC compounds you are interested in ="
- 21:4821:48, 18 September 2017 diff hist +96 DOCK 3.7 No edit summary
13 September 2017
- 20:4120:41, 13 September 2017 diff hist +161 ECFP4 Best First Clustering No edit summary
- 20:3020:30, 13 September 2017 diff hist +435 N ECFP4 Best First Clustering Created page with "Run the script at where your extract_all.sort.uniq.txt locates cd where your extract_all.sort.uniq.txt locates csh ~jklyu/zzz.script/large_scale_docking/cluster_analysis/be..."
- 20:2620:26, 13 September 2017 diff hist +62 DOCK 3.7 No edit summary
- 19:1419:14, 13 September 2017 diff hist +169 Substructure searching No edit summary current
- 19:0119:01, 13 September 2017 diff hist −583 Substructure searching No edit summary
- 18:5818:58, 13 September 2017 diff hist +4 Substructure searching No edit summary
- 18:2618:26, 13 September 2017 diff hist +247 Substructure searching No edit summary
- 18:2118:21, 13 September 2017 diff hist +499 Substructure searching No edit summary
- 18:1218:12, 13 September 2017 diff hist 0 File:Subsearching fig2.png Jklyu uploaded a new version of "File:Subsearching fig2.png" current
- 18:0518:05, 13 September 2017 diff hist 0 N File:Subsearching fig2.png No edit summary
- 18:0518:05, 13 September 2017 diff hist +78 Substructure searching No edit summary
- 18:0318:03, 13 September 2017 diff hist 0 N File:Subsearching fig1.png No edit summary current
- 18:0218:02, 13 September 2017 diff hist +102 Substructure searching No edit summary
- 18:0018:00, 13 September 2017 diff hist +731 Substructure searching No edit summary
- 17:4417:44, 13 September 2017 diff hist −21 Substructure searching No edit summary
- 17:3917:39, 13 September 2017 diff hist +1,049 N Substructure searching Created page with "Written by Jiankun Lyu, 2017/09/13 The hierarchy of the directories: thin_spheres_parameter_scanning----- working ..."
- 17:3417:34, 13 September 2017 diff hist +52 DOCK 3.7 No edit summary
5 May 2017
- 17:1017:10, 5 May 2017 diff hist +211 Tutorial on running Molecular Dynamics for GIST grid generation with scripts →Run MD
4 May 2017
- 00:0200:02, 4 May 2017 diff hist +141 Tutorial on running Molecular Dynamics for GIST grid generation with scripts →Run MD
3 May 2017
- 23:5723:57, 3 May 2017 diff hist +79 Tutorial on running Molecular Dynamics for GIST grid generation with scripts →Run MD
3 February 2017
- 22:0822:08, 3 February 2017 diff hist −6 How to do parameter scanning No edit summary
- 22:0622:06, 3 February 2017 diff hist −6 How to do parameter scanning No edit summary
19 January 2017
- 07:3907:39, 19 January 2017 diff hist +900 How to do parameter scanning No edit summary
- 07:2807:28, 19 January 2017 diff hist +60 How to do parameter scanning No edit summary
- 07:2607:26, 19 January 2017 diff hist +892 How to do parameter scanning No edit summary