File list
This special page shows all uploaded files.
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Date | Name | Thumbnail | Size | User | Description | Versions |
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10:17, 29 March 2023 | DirectoryStructureAMBER2.png (file) | 7 KB | Stonybrook | 1 | ||
10:08, 29 March 2023 | DirectoryStructureAMBER1a.png (file) | 8 KB | Stonybrook | 1 | ||
10:07, 29 March 2023 | DirectoryStructureAMBER.png (file) | 8 KB | Stonybrook | 3 | ||
13:51, 27 March 2023 | 2p16resocre.png (file) | 1.08 MB | Stonybrook | 1 | ||
07:06, 27 March 2023 | 2P16 VS original lig structure.png (file) | 278 KB | Stonybrook | 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 | |
07:00, 27 March 2023 | 2P16 vsresult original withRec.png (file) | 1.81 MB | Stonybrook | 2p16 virtual screening highest grid-scored result and the original PDB structured ligand, both shown against the binding pocket. | 1 | |
11:25, 24 March 2023 | 2p16nohligand.png (file) | 263 KB | Stonybrook | 1 | ||
11:24, 24 March 2023 | 2p16ligandminscored.png (file) | 1,023 KB | Stonybrook | 1 | ||
11:15, 24 March 2023 | 2p16 gridbox.png (file) | 452 KB | Stonybrook | 1 | ||
11:13, 24 March 2023 | 2p16 selected spheres.png (file) | 787 KB | Stonybrook | 1 | ||
11:13, 24 March 2023 | 2p16 spheres.png (file) | 1.42 MB | Stonybrook | 1 | ||
11:03, 24 March 2023 | 2p16 dockprep ligand.png (file) | 279 KB | Stonybrook | 1 | ||
10:54, 24 March 2023 | 2p16 dockprep protein.png (file) | 1.37 MB | Stonybrook | 1 | ||
10:53, 24 March 2023 | 2p16 noh protein.png (file) | 630 KB | Stonybrook | 1 | ||
10:50, 24 March 2023 | 2p16 cleaned.png (file) | 652 KB | Stonybrook | 1 | ||
10:48, 24 March 2023 | 2p16.png (file) | 837 KB | Stonybrook | 1 | ||
10:35, 24 March 2023 | 2p16 noh protein.jpg (file) | 206 KB | Stonybrook | 1 | ||
10:35, 24 March 2023 | 2p16 cleaned.jpg (file) | 212 KB | Stonybrook | 1 | ||
10:35, 24 March 2023 | 2p16.jpg (file) | 252 KB | Stonybrook | 1 | ||
10:21, 24 March 2023 | 2p16 footprint.jpg (file) | 168 KB | Stonybrook | 1 | ||
21:52, 23 March 2023 | Docking flowchart.jpg (file) | 47 KB | Stonybrook | 1 | ||
14:59, 20 March 2023 | 4S0V MIN.png (file) | 1 MB | Stonybrook | 1 | ||
14:41, 20 March 2023 | Dougrefine1.png (file) | 99 KB | Stonybrook | 1 | ||
14:24, 20 March 2023 | 3WZEenergymin.png (file) | 188 KB | Stonybrook | 1 | ||
14:19, 20 March 2023 | 3WZEgridenergy.png (file) | 797 KB | Stonybrook | 1 | ||
14:19, 20 March 2023 | 3WZEgridbump.png (file) | 493 KB | Stonybrook | 1 | ||
14:11, 20 March 2023 | 3WZEselectedsph.png (file) | 585 KB | Stonybrook | 1 | ||
14:09, 20 March 2023 | 3WZEsphere.png (file) | 554 KB | Stonybrook | 1 | ||
13:57, 20 March 2023 | 3WZEsurface.png (file) | 775 KB | Stonybrook | 1 | ||
12:39, 20 March 2023 | 2P16 minimized lig & rigid new(1).png (file) | 105 KB | Stonybrook | 2 | ||
18:51, 18 March 2023 | Dougdenovo6.png (file) | 38 KB | Stonybrook | 1 | ||
18:47, 18 March 2023 | Dougdenovo5.png (file) | 82 KB | Stonybrook | 1 | ||
18:40, 18 March 2023 | Dougdenovo4.png (file) | 39 KB | Stonybrook | 1 | ||
18:36, 18 March 2023 | Dougdenovo3.png (file) | 76 KB | Stonybrook | 1 | ||
18:24, 18 March 2023 | Dougdenovo23.png (file) | 58 KB | Stonybrook | 1 | ||
18:06, 18 March 2023 | Dougdenovo1.png (file) | 237 KB | Stonybrook | 1 | ||
18:34, 15 March 2023 | Loops23.png (file) | 59 KB | Stonybrook | 1 | ||
17:37, 15 March 2023 | Loops.png (file) | 82 KB | Stonybrook | 1 | ||
08:03, 15 March 2023 | Complexpdb.png (file) | 52 KB | Stonybrook | 1 | ||
12:20, 14 March 2023 | 2P16 minimized lig & fixed new.png (file) | 41 KB | Stonybrook | 1 | ||
12:12, 14 March 2023 | 2P16 minimized lig & fad new.png (file) | 42 KB | Stonybrook | 1 | ||
15:49, 13 March 2023 | 4s0v amber tleap setup.png (file) | 1.2 MB | Stonybrook | 1 | ||
19:35, 10 March 2023 | Tleap output image.png (file) | 446 KB | Stonybrook | 1 | ||
19:29, 10 March 2023 | MD inputs.png (file) | 21 KB | Stonybrook | 1 | ||
16:00, 9 March 2023 | 3wze.png (file) | 65 KB | Stonybrook | 1 | ||
09:16, 9 March 2023 | UpdatedStructure.png (file) | 11 KB | Stonybrook | 1 | ||
18:36, 3 March 2023 | FinalLigand.png (file) | 683 KB | Stonybrook | 1 | ||
18:32, 3 March 2023 | DenovoComparisons.png (file) | 167 KB | Stonybrook | 1 | ||
18:31, 3 March 2023 | DenovoComparison.png (file) | 167 KB | Stonybrook | 3 | ||
18:29, 3 March 2023 | LowestGrids.png (file) | 137 KB | Stonybrook | 3 |
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