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Date Name Thumbnail Size Description Versions
15:09, 11 March 2024 2tio fixed anchor docking vd.png (file) 70 KB   1
15:09, 11 March 2024 2tio fixed anchor vd.png (file) 70 KB   1
15:07, 11 March 2024 2tio fixed anchor.png (file) 285 KB   1
15:31, 6 March 2024 1ndv coordination.jpg (file) 113 KB   1
15:00, 6 March 2024 1ndv raw pdb.jpg (file) 165 KB   1
20:39, 7 May 2023 Sunodillam.png (file) 66 KB   1
20:35, 7 May 2023 Haklamabi.png (file) 58 KB   1
20:11, 7 May 2023 Doug generic4.png (file) 59 KB   1
16:15, 7 May 2023 Focused doug.png (file) 34 KB   1
14:16, 7 May 2023 Fragment1 doug.png (file) 24 KB   1
23:38, 27 April 2023 2p16 wetcomplex waters.jpg (file) 1.32 MB   1
15:23, 2 April 2023 DougVSlig6.PNG (file) 16 KB   1
15:22, 2 April 2023 DougVSlig5.PNG (file) 8 KB   1
15:13, 2 April 2023 DougVSlig4.png (file) 52 KB   1
15:13, 2 April 2023 DougVSlig3.png (file) 41 KB   1
15:13, 2 April 2023 DougVSlig2.png (file) 618 KB   1
15:12, 2 April 2023 DougVSlig1.png (file) 554 KB   1
15:04, 2 April 2023 Mthd.PNG (file) 13 KB   1
14:55, 2 April 2023 DougVShyd.png (file) 811 KB   1
14:51, 2 April 2023 DougVSacetone.png (file) 337 KB   1
14:51, 2 April 2023 DougVScysnoDTT.png (file) 326 KB   1
14:50, 2 April 2023 DougVScysdtt.png (file) 336 KB   1
14:45, 2 April 2023 DougVSnowater.png (file) 398 KB   1
14:40, 2 April 2023 DougVSwater.png (file) 411 KB   1
14:40, 2 April 2023 VSwater.png (file) 411 KB   1
14:54, 29 March 2023 Ligand structure cartmin vs1.png (file) 1.57 MB   2
14:44, 29 March 2023 Screenshot 2023-03-29 at 3.25.46 PM.png (file) 32 KB   1
14:14, 29 March 2023 RMSD1.png (file) 43 KB   1
10:17, 29 March 2023 DirectoryStructureAMBER2.png (file) 7 KB   1
10:08, 29 March 2023 DirectoryStructureAMBER1a.png (file) 8 KB   1
10:07, 29 March 2023 DirectoryStructureAMBER.png (file) 8 KB   3
13:51, 27 March 2023 2p16resocre.png (file) 1.08 MB   1
07:06, 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
07:00, 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
11:25, 24 March 2023 2p16nohligand.png (file) 263 KB   1
11:24, 24 March 2023 2p16ligandminscored.png (file) 1,023 KB   1
11:15, 24 March 2023 2p16 gridbox.png (file) 452 KB   1
11:13, 24 March 2023 2p16 selected spheres.png (file) 787 KB   1
11:13, 24 March 2023 2p16 spheres.png (file) 1.42 MB   1
11:03, 24 March 2023 2p16 dockprep ligand.png (file) 279 KB   1
10:54, 24 March 2023 2p16 dockprep protein.png (file) 1.37 MB   1
10:53, 24 March 2023 2p16 noh protein.png (file) 630 KB   1
10:50, 24 March 2023 2p16 cleaned.png (file) 652 KB   1
10:48, 24 March 2023 2p16.png (file) 837 KB   1
10:35, 24 March 2023 2p16 noh protein.jpg (file) 206 KB   1
10:35, 24 March 2023 2p16 cleaned.jpg (file) 212 KB   1
10:35, 24 March 2023 2p16.jpg (file) 252 KB   1
10:21, 24 March 2023 2p16 footprint.jpg (file) 168 KB   1
21:52, 23 March 2023 Docking flowchart.jpg (file) 47 KB   1
14:59, 20 March 2023 4S0V MIN.png (file) 1 MB   1
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