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Date Name Thumbnail Size User Description Versions
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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