User contributions for Jklyu
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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
- 22:4322:43, 24 October 2017 diff hist +345 How to process results from a large-scale docking No edit summary
- 22:4122:41, 24 October 2017 diff hist +383 How to process results from a large-scale docking →Cluster results
- 22:4022:40, 24 October 2017 diff hist +5 How to process results from a large-scale docking →Cluster results
18 October 2017
- 22:0422:04, 18 October 2017 diff hist −7 How to process results from a large-scale docking →Combine results
- 19:5919:59, 18 October 2017 diff hist +241 How to process results from a large-scale docking →Check for completion and resubmit failed jobs
- 19:0119:01, 18 October 2017 diff hist 0 How to process results from a large-scale docking No edit summary
- 18:5618:56, 18 October 2017 diff hist +161 How to process results from a large-scale docking No edit summary
- 18:4918:49, 18 October 2017 diff hist +219 How to process results from a large-scale docking No edit summary
- 18:3118:31, 18 October 2017 diff hist +586 N How to process results from a large-scale docking Created page with "Written by Jiankun Lyu, 20171018 == Check for completion and resubmit failed jobs == In a large calculation such as this one with tens of thousands of separate processes, it..."
- 18:1118:11, 18 October 2017 diff hist +2 DOCK 3.7 →Post Docking Clustering
- 18:1118:11, 18 October 2017 diff hist +55 DOCK 3.7 →Post Docking Clustering
19 September 2017
- 15:5115:51, 19 September 2017 diff hist −3 ECFP4 Best First Clustering No edit summary current
- 15:5015:50, 19 September 2017 diff hist +226 ECFP4 Best First Clustering No edit summary
- 05:4705:47, 19 September 2017 diff hist 0 DOCK 3.7 →Post Docking Clustering
- 05:4405:44, 19 September 2017 diff hist +511 Large-scale TC Calculations No edit summary current
- 05:3505:35, 19 September 2017 diff hist +509 ECFP4 Best First Clustering No edit summary
- 01:3401:34, 19 September 2017 diff hist −1 Large-scale SMILES Requesting and Fingerprints Converting No edit summary current
- 00:1300:13, 19 September 2017 diff hist +16 Large-scale SMILES Requesting and Fingerprints Converting No edit summary
- 00:0800:08, 19 September 2017 diff hist 0 Large-scale SMILES Requesting and Fingerprints Converting No edit summary
18 September 2017
- 23:5423:54, 18 September 2017 diff hist +1 Bemis-Murcko Scaffold Analysis No edit summary
- 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