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1O86 rigiddockingviewdock2.png Stonybrook
13:01, 13 May 2025
1.38 MB
1O86 ligminoverlay.png Stonybrook
12:44, 13 May 2025
317 KB
1O86 selsphereoverlay.png Stonybrook
12:12, 13 May 2025
1.05 MB
1O86 allsphereoverlay.png Stonybrook
12:05, 13 May 2025
1.07 MB
2025 05 01 RizzoLabPic.png Ccorbo
11:07, 7 May 2025
1.37 MB
Footprint score 1o86.png Stonybrook
23:32, 20 March 2025
246 KB
Overlap dock types.png Stonybrook
00:58, 20 March 2025
221 KB
Flex 1o86.png Stonybrook
00:20, 20 March 2025
451 KB
Flex param.png Stonybrook
23:26, 19 March 2025
83 KB
1XMU GA ViewDock.png Stonybrook
16:30, 18 March 2025
885 KB
01dms.png Stonybrook
15:35, 10 March 2025
555 KB
1xmu output7.png Stonybrook
13:27, 10 March 2025
176 KB
1xmu output6.png Stonybrook
13:27, 10 March 2025
663 KB
1xmu output3.png Stonybrook
13:21, 10 March 2025
63 KB
1xmu output4.png Stonybrook
13:20, 10 March 2025
797 KB
1xmu output5.png Stonybrook
13:20, 10 March 2025
88 KB
1xmu frag.png Stonybrook
12:21, 10 March 2025
71 KB
1xmu file2.png Stonybrook
12:21, 10 March 2025
16 KB
PDB search result.png Stonybrook
22:31, 9 March 2025
323 KB
Downloadaspdb-gz.png Stonybrook
22:26, 9 March 2025
239 KB
1XMU selected spheres.png Stonybrook
21:15, 8 March 2025
404 KB
1XMU spheres pdb.png Stonybrook
21:10, 8 March 2025
430 KB
1XMU Surfcae Show.png Stonybrook
23:34, 7 March 2025
154 KB
Overlap.png Stonybrook
21:56, 7 March 2025
488 KB
Bg.png Stonybrook
21:42, 7 March 2025
314 KB
Sort.png Stonybrook
21:37, 7 March 2025
221 KB
Sc menu.png Stonybrook
17:58, 7 March 2025
216 KB
First side chain.png Stonybrook
17:52, 7 March 2025
116 KB
1XMU lig dockprep menu.png Stonybrook
13:34, 7 March 2025
188 KB
1XMU dockprepped ligand.png Stonybrook
13:07, 7 March 2025
34 KB
1xmu unprepped lig.png Stonybrook
13:06, 7 March 2025
32 KB
Vi anch.png Stonybrook
13:13, 6 March 2025
354 KB
Save anch.png Stonybrook
13:03, 6 March 2025
153 KB
Freq.png Stonybrook
12:55, 6 March 2025
173 KB
View dock frag.png Stonybrook
12:55, 6 March 2025
128 KB
Methyl ethyl.png Stonybrook
12:39, 6 March 2025
76 KB
1XMU Rec Add Charges pop-up.png Stonybrook
22:20, 5 March 2025
53 KB
1XMU Rec Add Charges.png Stonybrook
22:11, 5 March 2025
75 KB
1XMU Rec Add H.png Stonybrook
21:49, 5 March 2025
105 KB
1XMU.jpg Stonybrook
15:55, 5 March 2025
68 KB
Mol2 menu.png Stonybrook
16:37, 26 February 2025
80 KB
Lch menu.png Stonybrook
16:36, 26 February 2025
74 KB
LncH.png Stonybrook
16:36, 26 February 2025
107 KB
Lh menu.png Stonybrook
16:35, 26 February 2025
121 KB
Dock prep.png Stonybrook
16:08, 26 February 2025
153 KB
All highlight.png Stonybrook
15:47, 26 February 2025
377 KB
1O86 ligand.png Stonybrook
15:47, 26 February 2025
187 KB
GA ViewDock.png Stonybrook
09:31, 26 February 2025
1.9 MB
1xmu output2.png Stonybrook
18:08, 25 February 2025
139 KB
1xmu out foc2.png Stonybrook
18:04, 25 February 2025
620 KB
1xmu out foc.png Stonybrook
18:01, 25 February 2025
482 KB
1xmu outfile.png Stonybrook
17:53, 25 February 2025
47 KB
1xmu files.png Stonybrook
17:30, 25 February 2025
20 KB
Specify.png Stonybrook
17:26, 25 February 2025
204 KB
Cm.png Stonybrook
17:22, 25 February 2025
119 KB
1xmu lig wDu.png Stonybrook
17:18, 25 February 2025
184 KB
Wm.png Stonybrook
17:09, 25 February 2025
148 KB
1xmu du vi.png Stonybrook
17:09, 25 February 2025
32 KB
1xmu lig wH del.png Stonybrook
17:08, 25 February 2025
178 KB
1xmu lig wH.png Stonybrook
17:08, 25 February 2025
242 KB
Save Menu.png Stonybrook
16:44, 25 February 2025
127 KB
Scores.png Stonybrook
16:24, 25 February 2025
242 KB
Fixed loop.png Stonybrook
16:10, 25 February 2025
386 KB
Modeller menu.png Stonybrook
16:02, 25 February 2025
201 KB
Model refine.png Stonybrook
16:33, 24 February 2025
238 KB
Residue List.png Stonybrook
16:21, 24 February 2025
472 KB
1xmu file.png Stonybrook
16:18, 24 February 2025
13 KB
Missing loop.png Stonybrook
16:06, 24 February 2025
474 KB
Protein only.png Stonybrook
15:58, 24 February 2025
491 KB
Water.png Stonybrook
15:27, 24 February 2025
439 KB
Ligand Embed.png Stonybrook
15:18, 24 February 2025
482 KB
JobSubmitted.png Stonybrook
15:54, 22 February 2025
18 KB
JobRunning.png Stonybrook
15:54, 22 February 2025
23 KB
VS ViewDock.png Stonybrook
15:50, 22 February 2025
608 KB
ChimeraMenu.png Stonybrook
15:47, 22 February 2025
61 KB
Refinements.png Stonybrook
19:22, 21 February 2025
222 KB
Overlap Ligand.png Stonybrook
19:13, 21 February 2025
94 KB
Best Scoring Ligand.png Stonybrook
19:04, 21 February 2025
69 KB
View Dock.png Stonybrook
18:58, 21 February 2025
263 KB
Attach out.png Stonybrook
18:11, 21 February 2025
223 KB
New dummy Ligand.png Stonybrook
13:28, 21 February 2025
88 KB
Input file.png Stonybrook
13:26, 21 February 2025
408 KB
Dummy ligand.png Stonybrook
23:17, 20 February 2025
73 KB
Dummy Atom.png Stonybrook
23:07, 20 February 2025
335 KB
Clear picture.png Stonybrook
16:09, 20 February 2025
318 KB
Highlight.png Stonybrook
15:52, 20 February 2025
679 KB
1O86 Zone.png Stonybrook
13:04, 20 February 2025
168 KB
Ligand In 1O86 DN.png Stonybrook
12:49, 20 February 2025
725 KB
2025 test.png Stonybrook
14:36, 19 February 2025
11 KB
1O86 RCSB 2.png Stonybrook
14:11, 19 February 2025
282 KB
1O86 RCSB 1.png Stonybrook
14:09, 19 February 2025
283 KB
1y0xdir1.png Stonybrook
11:32, 8 May 2024
41 KB
1ndv fixed secondGS.png Stonybrook
14:11, 6 May 2024
158 KB
1ndv viewdock.png Stonybrook
13:51, 6 May 2024
22 KB
1ndv footprint analysis.png Stonybrook
13:20, 6 May 2024
75 KB
1ndv selected spheres check.png Stonybrook
12:58, 6 May 2024
370 KB
1ndv selected spheres.png Stonybrook
12:48, 6 May 2024
332 KB
1ndv binding spheres.png Stonybrook
12:39, 6 May 2024
512 KB
1ndv surface dms.png Stonybrook
12:08, 6 May 2024
679 KB
1ndv surface warning.png Stonybrook
12:00, 6 May 2024
34 KB
1ndv surface.png Stonybrook
12:00, 6 May 2024
636 KB
1ndv protein addcharge Zn.png Stonybrook
11:46, 6 May 2024
30 KB
1ndv protein addcharge.png Stonybrook
11:42, 6 May 2024
16 KB
1ndv protein hydrogens check.png Stonybrook
11:40, 6 May 2024
355 KB
1ndv protein addH.png Stonybrook
11:36, 6 May 2024
21 KB
1ndv protein only.png Stonybrook
11:34, 6 May 2024
396 KB
2tio dn 2.png Stonybrook
10:42, 6 May 2024
167 KB
2tio dn 1.png Stonybrook
10:42, 6 May 2024
898 KB
Dummypdb.png Stonybrook
09:13, 6 May 2024
213 KB
2tiodummy.png Stonybrook
08:45, 6 May 2024
310 KB
2tio ligand dn.png Stonybrook
08:41, 6 May 2024
352 KB
1ndv no water.png Stonybrook
22:08, 5 May 2024
831 KB
1ndv water.png Stonybrook
22:06, 5 May 2024
1.97 MB
Lowest original 2ITOprotein.png Stonybrook
18:03, 5 May 2024
773 KB
LowestScoreLigand original.png Stonybrook
18:02, 5 May 2024
216 KB
Focus2png.png Stonybrook
14:42, 29 April 2024
1.06 MB
Focus1png.png Stonybrook
14:41, 29 April 2024
192 KB
1ndv ga.png Stonybrook
00:42, 27 April 2024
523 KB
1ndv original.png Stonybrook
00:15, 27 April 2024
508 KB
2ITO genericDeNovo ligands gridScores.png Stonybrook
20:45, 26 April 2024
310 KB
2ITO genericDenovo lowest gridscore.png Stonybrook
20:44, 26 April 2024
98 KB
1y0x sel sphere.png Stonybrook
14:07, 18 March 2024
362 KB
1y0x dms a.png Stonybrook
14:07, 18 March 2024
426 KB
1y0x all sphere.png Stonybrook
14:06, 18 March 2024
799 KB
1y0xsurface.png Stonybrook
14:06, 18 March 2024
592 KB
1y0xmodeled loop.png Stonybrook
13:59, 18 March 2024
465 KB
Ligand in pdb 1y0x.png Stonybrook
13:30, 18 March 2024
38 KB
1y0x ligandbefore.png Stonybrook
13:27, 18 March 2024
137 KB
1y0xaddcharge.png Stonybrook
13:23, 18 March 2024
20 KB
1y0x hydrogen.png Stonybrook
13:20, 18 March 2024
480 KB
1y0xaddh.png Stonybrook
13:17, 18 March 2024
24 KB
1y0x blank.png Stonybrook
13:11, 18 March 2024
266 KB
1y0x model loop.png Stonybrook
13:04, 18 March 2024
51 KB
1y0x modeller license.png Stonybrook
13:03, 18 March 2024
283 KB
1y0x distance.png Stonybrook
12:58, 18 March 2024
43 KB
1y0x model gap.png Stonybrook
12:37, 18 March 2024
250 KB
1y0x overview.png Stonybrook
12:36, 18 March 2024
363 KB
1y0x window chimera.png Stonybrook
12:36, 18 March 2024
35 KB
1y0x window.png Stonybrook
12:35, 18 March 2024
32 KB
1y0x PDB.png Stonybrook
12:34, 18 March 2024
223 KB
1y0x directory.png Stonybrook
12:29, 18 March 2024
20 KB
2ito withoutspheres.png Stonybrook
08:44, 18 March 2024
500 KB
2itobindingsitespheres.png Stonybrook
08:42, 18 March 2024
606 KB
2itoSpheres and original.png Stonybrook
08:39, 18 March 2024
527 KB
1y0x compare 3 dockings.png Stonybrook
01:18, 18 March 2024
197 KB
1y0x flex.png Stonybrook
01:09, 18 March 2024
267 KB
1y0x fixed anchor.png Stonybrook
00:55, 18 March 2024
202 KB
1y0x rigid grid score.png Stonybrook
00:39, 18 March 2024
53 KB
1y0x rigid.png Stonybrook
00:36, 18 March 2024
152 KB
1y0x footprint.png Stonybrook
00:03, 18 March 2024
150 KB
En min tint originial cyan.png Stonybrook
23:45, 17 March 2024
122 KB
2ito dms surface.png Stonybrook
17:54, 17 March 2024
654 KB
2ito surface.png Stonybrook
17:53, 17 March 2024
1.51 MB
2ito chargesadd.png Stonybrook
17:21, 17 March 2024
18 KB
2ito ligand chargeH.png Stonybrook
16:42, 17 March 2024
122 KB
2ito charge.png Stonybrook
16:24, 17 March 2024
19 KB
2ito addH.png Stonybrook
16:03, 17 March 2024
25 KB
2ito protein.png Stonybrook
16:00, 17 March 2024
529 KB
2ito fixed2.png Stonybrook
01:27, 17 March 2024
45 KB
2ito fixed.png Stonybrook
01:26, 17 March 2024
27 KB
2ito lc.png Stonybrook
01:24, 17 March 2024
12 KB
2ito db.png Stonybrook
01:18, 17 March 2024
44 KB
2ito sequences.png Stonybrook
01:14, 17 March 2024
71 KB
2ito missingloop2.png Stonybrook
01:12, 17 March 2024
113 KB
2ito missingloop.png Stonybrook
22:10, 16 March 2024
107 KB
1ndv-ligand-flex.png Stonybrook
18:19, 16 March 2024
113 KB
1ndv-rigid.png Stonybrook
18:08, 16 March 2024
352 KB
1ndv-min.png Stonybrook
17:46, 16 March 2024
119 KB
1ndv-ligand-with-H.png Stonybrook
16:14, 16 March 2024
114 KB
1ndv-small-mol-big.png Stonybrook
16:07, 16 March 2024
24 KB
1ndv-small-mol.png Stonybrook
16:05, 16 March 2024
38 KB
1ndv-ligand-only-H.png Stonybrook
16:00, 16 March 2024
120 KB
1ndv-ligand-only.png Stonybrook
15:50, 16 March 2024
92 KB
1NDV-Download.png Stonybrook
15:29, 16 March 2024
188 KB
PDB SearchBar.png Stonybrook
15:23, 16 March 2024
58 KB
1NDV Chart.png Stonybrook
15:16, 16 March 2024
127 KB
2ITO.lig.min.mol2.png Stonybrook
13:37, 15 March 2024
415 KB
Fixed.out scored.mol2.png Stonybrook
13:34, 15 March 2024
278 KB
2ITO.footprint.png Stonybrook
13:28, 15 March 2024
314 KB
2itopdb.png Stonybrook
03:30, 15 March 2024
541 KB
2itodownload.png Stonybrook
02:40, 15 March 2024
74 KB
2itodisplaypage.png Stonybrook
02:26, 15 March 2024
398 KB
2itopdbsearchpage.png Stonybrook
02:13, 15 March 2024
31 KB
2ito directory structure.png Stonybrook
01:31, 15 March 2024
17 KB
2tio vs site.png Stonybrook
15:34, 13 March 2024
335 KB
2tio vs.png Stonybrook
15:34, 13 March 2024
1.02 MB
2tio combine.png Stonybrook
17:11, 11 March 2024
650 KB
2tio flex.png Stonybrook
17:01, 11 March 2024
475 KB
2tio vd.png Stonybrook
17:01, 11 March 2024
84 KB
2tio flex out.png Stonybrook
17:00, 11 March 2024
167 KB
2tio fixed anchor out.png Stonybrook
16:23, 11 March 2024
164 KB
2tio fixed anchor docking vd.png Stonybrook
16:09, 11 March 2024
70 KB
2tio fixed anchor vd.png Stonybrook
16:09, 11 March 2024
70 KB
2tio fixed anchor.png Stonybrook
16:07, 11 March 2024
285 KB
1ndv coordination.jpg Stonybrook
16:31, 6 March 2024
113 KB
1ndv raw pdb.jpg Stonybrook
16:00, 6 March 2024
165 KB
Acetylcholinesterase.No PDB.RMSDh.heatmap.png Ccorbo
00:20, 1 March 2024
7 KB
Bad align ccorbo.png Ccorbo
16:43, 28 February 2024
26 KB
Good align ccorbo.png Ccorbo
16:42, 28 February 2024
26 KB
Alignment ccorbo.png Ccorbo
16:32, 28 February 2024
1.23 MB
PR results V1ccorbo.png Ccorbo
15:17, 21 February 2024
69 KB
Bookkeep 3 ccorbo.png Ccorbo
12:54, 19 February 2024
23 KB
Bookkeep 2 ccorbo.png Ccorbo
12:53, 19 February 2024
25 KB
Bookkeep 1 ccorbo.png Ccorbo
12:52, 19 February 2024
21 KB
Min lig RMSD ccorbo.png Ccorbo
19:59, 17 February 2024
36 KB
Spreadsheet cof ccorbo.png Ccorbo
19:50, 17 February 2024
44 KB
Grid ion ccorbo.png Ccorbo
20:59, 16 February 2024
82 KB
P3 conversion ccorbo.png Ccorbo
17:31, 16 February 2024
188 KB
Receptor rmsd ccorbo.png Ccorbo
17:23, 16 February 2024
80 KB
Bond order diff.png Ccorbo
15:40, 16 February 2024
104 KB
Ligand fatal.png Ccorbo
02:08, 14 February 2024
452 KB
MHO to MET Crop.png Ccorbo
21:56, 13 February 2024
493 KB
3D94 MHO crop v2.png Ccorbo
21:49, 13 February 2024
57 KB
3D94 MET crop v2.png Ccorbo
21:49, 13 February 2024
52 KB
2GQG Y2P crop v2.png Ccorbo
21:44, 13 February 2024
181 KB
2Y03 CYX crop.png Ccorbo
21:38, 13 February 2024
392 KB
Ligand output ccorbo.png Ccorbo
21:37, 13 February 2024
255 KB
5UPG Zn HID crop.png Ccorbo
22:02, 12 February 2024
238 KB
Sunodillam.png Stonybrook
21:39, 7 May 2023
66 KB
Haklamabi.png Stonybrook
21:35, 7 May 2023
58 KB
Doug generic4.png Stonybrook
21:11, 7 May 2023
59 KB
Focused doug.png Stonybrook
17:15, 7 May 2023
34 KB
Fragment1 doug.png Stonybrook
15:16, 7 May 2023
24 KB
2p16 wetcomplex waters.jpg Stonybrook
00:38, 28 April 2023
1.32 MB
DougVSlig6.PNG Stonybrook
16:23, 2 April 2023
16 KB
DougVSlig5.PNG Stonybrook
16:22, 2 April 2023
8 KB
DougVSlig4.png Stonybrook
16:13, 2 April 2023
52 KB
DougVSlig3.png Stonybrook
16:13, 2 April 2023
41 KB
DougVSlig2.png Stonybrook
16:13, 2 April 2023
618 KB
DougVSlig1.png Stonybrook
16:12, 2 April 2023
554 KB
Mthd.PNG Stonybrook
16:04, 2 April 2023
13 KB
DougVShyd.png Stonybrook
15:55, 2 April 2023
811 KB
DougVSacetone.png Stonybrook
15:51, 2 April 2023
337 KB
DougVScysnoDTT.png Stonybrook
15:51, 2 April 2023
326 KB
DougVScysdtt.png Stonybrook
15:50, 2 April 2023
336 KB
DougVSnowater.png Stonybrook
15:45, 2 April 2023
398 KB
DougVSwater.png Stonybrook
15:40, 2 April 2023
411 KB
VSwater.png Stonybrook
15:40, 2 April 2023
411 KB
Ligand structure cartmin vs1.png Stonybrook
15:54, 29 March 2023
1.57 MB
Screenshot 2023-03-29 at 3.25.46 PM.png Stonybrook
15:44, 29 March 2023
32 KB
RMSD1.png Stonybrook
15:14, 29 March 2023
43 KB
DirectoryStructureAMBER2.png Stonybrook
11:17, 29 March 2023
7 KB
DirectoryStructureAMBER1a.png Stonybrook
11:08, 29 March 2023
8 KB
DirectoryStructureAMBER.png Stonybrook
11:07, 29 March 2023
8 KB
2p16resocre.png Stonybrook
14:51, 27 March 2023
1.08 MB
2P16 VS original lig structure.png Stonybrook
08:06, 27 March 2023
278 KB
2P16 vsresult original withRec.png Stonybrook
08:00, 27 March 2023
1.81 MB
2p16nohligand.png Stonybrook
12:25, 24 March 2023
263 KB
2p16ligandminscored.png Stonybrook
12:24, 24 March 2023
1,023 KB
2p16 gridbox.png Stonybrook
12:15, 24 March 2023
452 KB
2p16 selected spheres.png Stonybrook
12:13, 24 March 2023
787 KB
2p16 spheres.png Stonybrook
12:13, 24 March 2023
1.42 MB
2p16 dockprep ligand.png Stonybrook
12:03, 24 March 2023
279 KB
2p16 dockprep protein.png Stonybrook
11:54, 24 March 2023
1.37 MB
2p16 noh protein.png Stonybrook
11:53, 24 March 2023
630 KB
2p16 cleaned.png Stonybrook
11:50, 24 March 2023
652 KB
2p16.png Stonybrook
11:48, 24 March 2023
837 KB
2p16 noh protein.jpg Stonybrook
11:35, 24 March 2023
206 KB
2p16 cleaned.jpg Stonybrook
11:35, 24 March 2023
212 KB
2p16.jpg Stonybrook
11:35, 24 March 2023
252 KB
2p16 footprint.jpg Stonybrook
11:21, 24 March 2023
168 KB
Docking flowchart.jpg Stonybrook
22:52, 23 March 2023
47 KB
4S0V MIN.png Stonybrook
15:59, 20 March 2023
1 MB
Dougrefine1.png Stonybrook
15:41, 20 March 2023
99 KB
3WZEenergymin.png Stonybrook
15:24, 20 March 2023
188 KB
3WZEgridenergy.png Stonybrook
15:19, 20 March 2023
797 KB
3WZEgridbump.png Stonybrook
15:19, 20 March 2023
493 KB
3WZEselectedsph.png Stonybrook
15:11, 20 March 2023
585 KB
3WZEsphere.png Stonybrook
15:09, 20 March 2023
554 KB
3WZEsurface.png Stonybrook
14:57, 20 March 2023
775 KB
2P16 minimized lig & rigid new(1).png Stonybrook
13:39, 20 March 2023
105 KB
Dougdenovo6.png Stonybrook
19:51, 18 March 2023
38 KB
Dougdenovo5.png Stonybrook
19:47, 18 March 2023
82 KB
Dougdenovo4.png Stonybrook
19:40, 18 March 2023
39 KB
Dougdenovo3.png Stonybrook
19:36, 18 March 2023
76 KB
Dougdenovo23.png Stonybrook
19:24, 18 March 2023
58 KB
Dougdenovo1.png Stonybrook
19:06, 18 March 2023
237 KB
Loops23.png Stonybrook
19:34, 15 March 2023
59 KB
Loops.png Stonybrook
18:37, 15 March 2023
82 KB
Complexpdb.png Stonybrook
09:03, 15 March 2023
52 KB
2P16 minimized lig & fixed new.png Stonybrook
13:20, 14 March 2023
41 KB
2P16 minimized lig & fad new.png Stonybrook
13:12, 14 March 2023
42 KB
4s0v amber tleap setup.png Stonybrook
16:49, 13 March 2023
1.2 MB
Tleap output image.png Stonybrook
20:35, 10 March 2023
446 KB
MD inputs.png Stonybrook
20:29, 10 March 2023
21 KB
3wze.png Stonybrook
17:00, 9 March 2023
65 KB
UpdatedStructure.png Stonybrook
10:16, 9 March 2023
11 KB
FinalLigand.png Stonybrook
19:36, 3 March 2023
683 KB
DenovoComparisons.png Stonybrook
19:32, 3 March 2023
167 KB
DenovoComparison.png Stonybrook
19:31, 3 March 2023
167 KB
LowestGrids.png Stonybrook
19:29, 3 March 2023
137 KB
Highest.png Stonybrook
10:04, 3 March 2023
129 KB
Highestfootprint.png Stonybrook
10:04, 3 March 2023
129 KB
Ligandcomparisons.png Stonybrook
22:00, 2 March 2023
228 KB
LowestFootprint.png Stonybrook
21:54, 2 March 2023
142 KB
Denovooptions.png Stonybrook
18:43, 2 March 2023
202 KB
Dummyatom.png Stonybrook
18:12, 2 March 2023
126 KB
Modifiedmol2.png Stonybrook
18:10, 2 March 2023
32 KB
Originalmol2.png Stonybrook
18:07, 2 March 2023
39 KB
DeletedRing.png Stonybrook
18:01, 2 March 2023
34 KB
Atomnumber.png Stonybrook
17:58, 2 March 2023
63 KB
LigandInSite.png Stonybrook
17:52, 2 March 2023
356 KB
Descriptorscorebox.png Stonybrook
11:16, 26 February 2023
109 KB
ViewDockboxs.png Stonybrook
11:10, 26 February 2023
97 KB
4s0v directoryStructure.png Stonybrook
10:31, 26 February 2023
24 KB
DirectoryStructure.png Stonybrook
10:30, 26 February 2023
24 KB
Fouroverlays.png Stonybrook
17:54, 23 February 2023
343 KB
Flexgridscore.png Stonybrook
17:50, 23 February 2023
8 KB
Flexoverlay.png Stonybrook
17:47, 23 February 2023
301 KB
Rigidvsfixed.png Stonybrook
17:26, 23 February 2023
266 KB
Fixedscore.png Stonybrook
17:24, 23 February 2023
11 KB
Fixedoverlay.png Stonybrook
15:51, 23 February 2023
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Ridiggridscore.png Stonybrook
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Rigidoverlay.png Stonybrook
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Rigidoutputs.png Stonybrook
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4s0v footprint.png Stonybrook
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Ligandminimized.png Stonybrook
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Withoutspheres.png Stonybrook
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Bindingsitespheres.png Stonybrook
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Chargeboxes.png Stonybrook
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Ligandcharge.png Stonybrook
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Finalligand.png Stonybrook
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Methyl.png Stonybrook
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Buildstructure.png Stonybrook
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Inputmissing.png Stonybrook
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Sequence.png Stonybrook
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Distances.png Stonybrook
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Spheres and original.png Stonybrook
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Dms overlay.png Stonybrook
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4s0v surface.png Stonybrook
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Chargeerror.png Stonybrook
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Hremove.png Stonybrook
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Hydrogenint.png Stonybrook
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Ligandlayout.png Stonybrook
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2Dligand.png Stonybrook
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Hydrogensafter.png Stonybrook
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Chargebox.png Stonybrook
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Honprotein.png Stonybrook
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Zoneselection.png Stonybrook
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Addhs.png Stonybrook
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Proteinonly.png Stonybrook
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Ligandonly.png Stonybrook
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Fixed.png Stonybrook
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Loopchoice.png Stonybrook
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Missingloop.png Stonybrook
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Downloads.png Stonybrook
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Searchbar.png Stonybrook
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Landing.png Stonybrook
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6ME2.topscoreligand.png Stonybrook
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6ME2.dn2ndscoreligand.png Stonybrook
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6ME2.dnallligands.png Stonybrook
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1X70 focus dn.png BrockBoysan
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1X70 focus dn pose.png BrockBoysan
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715 frags.png BrockBoysan
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1X70 sidechains.png BrockBoysan
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1X70 linkers.png BrockBoysan
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Afewbubbles.png Stonybrook
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Allthebubbles.png Stonybrook
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Surfacesssssss.png Stonybrook
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Goodjev.png Stonybrook
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Badjev.png Stonybrook
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Mol foot 6me2.png Stonybrook
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Lig min score.png Stonybrook
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Rigid with ligand img.png Stonybrook
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Fad with liand img.png Stonybrook
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Receptor+ligand+showbox.png Stonybrook
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1X70 min fp.png BrockBoysan
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1X70 sel spheres.png BrockBoysan
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1X70 lig minimized.png BrockBoysan
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Compoud193 footprint.txt.png Stonybrook
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Compoud221 footprint.txt.png Stonybrook
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4zud protein dockprep panel3.png Stonybrook
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4zud protein dockprep panel2.png Stonybrook
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4zud protein dockprep panel1.png Stonybrook
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4ZUD lowestFPscore denovo molecule new(1).png Stonybrook
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4ZUD highestFPscore denovo molecule new.png Stonybrook
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4ZUD minimized lig & flex new.png Stonybrook
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4ZUD minimized lig & fad new.png Stonybrook
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4ZUD minimized lig & rigid new(1).png Stonybrook
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1X70 bmp.png BrockBoysan
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1X70 grid nrg.png BrockBoysan
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1X70 surface.png BrockBoysan
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1X70 multiple occupancy.png BrockBoysan
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1X70 dock prep.png BrockBoysan
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1X70 noH.png BrockBoysan
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1X70 715.png BrockBoysan
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1X70 715 no H.png BrockBoysan
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1X70 715 complexed.png BrockBoysan
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1X70 fetched.png BrockBoysan
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4zud minimized ligand and flex pose.png Stonybrook
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4zud minimized ligand and FAD pose.png Stonybrook
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4zud minimized ligand and rigid pose(1).png Stonybrook
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1X70 spheres.png BrockBoysan
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4zud pdb mutated back to A53I new.png Stonybrook
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4ZUD highestFPscore denovo molecule.png Stonybrook
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4ZUD lowestFPscore denovo molecule.png Stonybrook
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4ZUD minimized lig(1).png Stonybrook
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Min ligand.png Stonybrook
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4ZUD minimized lig outline & scaffold(1).png Stonybrook
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4ZUD minimized lig outline & linkers.png Stonybrook
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4ZUD minimized lig outline & sidechains.png Stonybrook
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Tanjiro.png Jbickel
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4zud pdb mutated I53A (1).png Stonybrook
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4zud rotamers ILE53 chimera rotamers window.png Stonybrook
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4zud pdb.png Stonybrook
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1s19 rmsd.png Stonybrook
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1efyligandwH.PNG Stonybrook
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1efyBuildStructure.PNG Stonybrook
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1eftVScomparison.PNG Stonybrook
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1efyflex.PNG Stonybrook
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1efyfixedanchor.PNG Stonybrook
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1efyfootprint.PNG Stonybrook
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1efy rigid.png Stonybrook
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2zd1 rec ligand.png Stonybrook
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1efy box.png Stonybrook
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1efy wspheres.png Stonybrook
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1efy spheres.png Stonybrook
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1efy surface.png Stonybrook
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Bzc wH.png Stonybrook
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1efy ligand noH.png Stonybrook
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1efy add hydrogens.png Stonybrook
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1efy deleted residues.png Stonybrook
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Selected residues.png Stonybrook
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Unedited pdb.png Stonybrook
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1hw9e.png Stonybrook
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Viewdock descriptor.png Stonybrook
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Descriptor viewdock descriptor score.png Stonybrook
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1s19 virtualscreen.png Stonybrook
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1s19 hbonds2.png Stonybrook
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1s19 hbonds1.png Stonybrook
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Frag three.png Stonybrook
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1hw9rig.png Stonybrook
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1hw9ele.png Stonybrook
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1hw9van.png Stonybrook
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1hw9min.png Stonybrook
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1S19 virtualscreen out.jpg Stonybrook
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1hw9sel.png Stonybrook
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1hw9sp.png Stonybrook
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1hw9surface.png Stonybrook
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1hw9h.png Stonybrook
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1s19 minimized.png Stonybrook
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1s19 footprint.png Stonybrook
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1s19 viewdock.png Stonybrook
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1s19 unedited.jpg Stonybrook
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1S19 flex.jpg Stonybrook
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-home-user-Documents-AMS 536 AR-1S19-004.dock-1S19 fixed-1S19 docking fixed.jpg Stonybrook
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-home-user-Documents-AMS 536 AR-1S19-004.dock-1S19 rigid-1S19 ligand rigid.jpg Stonybrook
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1HW9ligiso.png Stonybrook
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1HW9Rec.png Stonybrook
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Rec1HW9.png Stonybrook
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ChainA.png Stonybrook
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Chain A.png Stonybrook
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1HW9.png Stonybrook
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Minimized.png Stonybrook
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1s19 selected pheres.png Stonybrook
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1s19 spheres.png Stonybrook
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1s19 surface.png Stonybrook
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1s19 lig dock.png Stonybrook
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1s19 lig woH.png Stonybrook
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Descriptorscore.jpg Lprentis
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AutoDock Vina 2.png Stonybrook
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AutoDock Vina 1.png Stonybrook
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AutoDock Vina Results CSV.PNG Stonybrook
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Tutorial Docking 3.png Stonybrook
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Tutorial Docking 2.png Stonybrook
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Tutorial Docking 1.png Stonybrook
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AutoDock4 CSV results.png Stonybrook
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Charges to Ligand.PNG Stonybrook
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Problematic Ligands.png Stonybrook
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FOR Tutorial 3.png Stonybrook
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FOR Tutorial 2.png Stonybrook
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Pose Reproduction Intro.JPG Stonybrook
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1Q4X ligand enrichment DOCK6.9.png Stonybrook
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Fms equation.jpg Lprentis
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3vjk solvated wet8.jpg Stonybrook
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3vjk wet 10.jpg Stonybrook
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3vjk mpi minimized.png Stonybrook
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Time limit.png Stonybrook
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Dock first.png Stonybrook
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Dock result.png Stonybrook
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Lowest rmsd 19.png Stonybrook
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Lig rec box.png Stonybrook
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Box1.png Stonybrook
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Ligspheres2.png Stonybrook
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Ligabsspheres.png Stonybrook
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Lig CBnoH.png Stonybrook
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Lig h.png Stonybrook
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Lig bond.png Stonybrook
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Cys73.png Stonybrook
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Lig rec2A.png Stonybrook
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4f4pfocus.png Stonybrook
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4f4p fragments.png Stonybrook
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Rpmchugh Flex-dock-result transparent.png Stonybrook
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Rescore.png Stonybrook
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3vjkfootprint.png Stonybrook
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3VJK FLEXIBLE.png Stonybrook
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3VJK FAD.png Stonybrook
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Rigid entropy.png Stonybrook
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Minimized ligand.png Stonybrook
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Flex results.jpg Stonybrook
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