File list
This special page shows all uploaded files.
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| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:14, 29 March 2023 | RMSD1.png (file) |  |
43 KB | 1 | |
| 11:17, 29 March 2023 | DirectoryStructureAMBER2.png (file) |  |
7 KB | 1 | |
| 11:08, 29 March 2023 | DirectoryStructureAMBER1a.png (file) |  |
8 KB | 1 | |
| 11:07, 29 March 2023 | DirectoryStructureAMBER.png (file) |  |
8 KB | 3 | |
| 14:51, 27 March 2023 | 2p16resocre.png (file) |  |
1.08 MB | 1 | |
| 08:06, 27 March 2023 | 2P16 VS original lig structure.png (file) |  |
278 KB | Structural comparison between the original ligand (blue) and the best-scored ligand from virtual screening (orange) Note the various differences in ring structures between both structures. | 2 |
| 08:00, 27 March 2023 | 2P16 vsresult original withRec.png (file) |  |
1.81 MB | 2p16 virtual screening highest grid-scored result and the original PDB structured ligand, both shown against the binding pocket. | 1 |
| 12:25, 24 March 2023 | 2p16nohligand.png (file) |  |
263 KB | 1 | |
| 12:24, 24 March 2023 | 2p16ligandminscored.png (file) |  |
1,023 KB | 1 | |
| 12:15, 24 March 2023 | 2p16 gridbox.png (file) |  |
452 KB | 1 | |
| 12:13, 24 March 2023 | 2p16 selected spheres.png (file) |  |
787 KB | 1 | |
| 12:13, 24 March 2023 | 2p16 spheres.png (file) |  |
1.42 MB | 1 | |
| 12:03, 24 March 2023 | 2p16 dockprep ligand.png (file) |  |
279 KB | 1 | |
| 11:54, 24 March 2023 | 2p16 dockprep protein.png (file) |  |
1.37 MB | 1 | |
| 11:53, 24 March 2023 | 2p16 noh protein.png (file) |  |
630 KB | 1 | |
| 11:50, 24 March 2023 | 2p16 cleaned.png (file) |  |
652 KB | 1 | |
| 11:48, 24 March 2023 | 2p16.png (file) |  |
837 KB | 1 | |
| 11:35, 24 March 2023 | 2p16 noh protein.jpg (file) |  |
206 KB | 1 | |
| 11:35, 24 March 2023 | 2p16 cleaned.jpg (file) |  |
212 KB | 1 | |
| 11:35, 24 March 2023 | 2p16.jpg (file) |  |
252 KB | 1 | |
| 11:21, 24 March 2023 | 2p16 footprint.jpg (file) |  |
168 KB | 1 | |
| 22:52, 23 March 2023 | Docking flowchart.jpg (file) |  |
47 KB | 1 | |
| 15:59, 20 March 2023 | 4S0V MIN.png (file) |  |
1 MB | 1 | |
| 15:41, 20 March 2023 | Dougrefine1.png (file) |  |
99 KB | 1 | |
| 15:24, 20 March 2023 | 3WZEenergymin.png (file) |  |
188 KB | 1 | |
| 15:19, 20 March 2023 | 3WZEgridenergy.png (file) |  |
797 KB | 1 | |
| 15:19, 20 March 2023 | 3WZEgridbump.png (file) |  |
493 KB | 1 | |
| 15:11, 20 March 2023 | 3WZEselectedsph.png (file) |  |
585 KB | 1 | |
| 15:09, 20 March 2023 | 3WZEsphere.png (file) |  |
554 KB | 1 | |
| 14:57, 20 March 2023 | 3WZEsurface.png (file) |  |
775 KB | 1 | |
| 13:39, 20 March 2023 | 2P16 minimized lig & rigid new(1).png (file) | .png) |
105 KB | 2 | |
| 19:51, 18 March 2023 | Dougdenovo6.png (file) |  |
38 KB | 1 | |
| 19:47, 18 March 2023 | Dougdenovo5.png (file) |  |
82 KB | 1 | |
| 19:40, 18 March 2023 | Dougdenovo4.png (file) |  |
39 KB | 1 | |
| 19:36, 18 March 2023 | Dougdenovo3.png (file) |  |
76 KB | 1 | |
| 19:24, 18 March 2023 | Dougdenovo23.png (file) |  |
58 KB | 1 | |
| 19:06, 18 March 2023 | Dougdenovo1.png (file) |  |
237 KB | 1 | |
| 19:34, 15 March 2023 | Loops23.png (file) |  |
59 KB | 1 | |
| 18:37, 15 March 2023 | Loops.png (file) |  |
82 KB | 1 | |
| 09:03, 15 March 2023 | Complexpdb.png (file) |  |
52 KB | 1 | |
| 13:20, 14 March 2023 | 2P16 minimized lig & fixed new.png (file) |  |
41 KB | 1 | |
| 13:12, 14 March 2023 | 2P16 minimized lig & fad new.png (file) |  |
42 KB | 1 | |
| 16:49, 13 March 2023 | 4s0v amber tleap setup.png (file) |  |
1.2 MB | 1 | |
| 20:35, 10 March 2023 | Tleap output image.png (file) |  |
446 KB | 1 | |
| 20:29, 10 March 2023 | MD inputs.png (file) |  |
21 KB | 1 | |
| 17:00, 9 March 2023 | 3wze.png (file) |  |
65 KB | 1 | |
| 10:16, 9 March 2023 | UpdatedStructure.png (file) |  |
11 KB | 1 | |
| 19:36, 3 March 2023 | FinalLigand.png (file) |  |
683 KB | 1 | |
| 19:32, 3 March 2023 | DenovoComparisons.png (file) |  |
167 KB | 1 | |
| 19:31, 3 March 2023 | DenovoComparison.png (file) |  |
167 KB | 3 |
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