User contributions
(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
- 16:55, 23 March 2018 (diff | hist) . . (+1) . . 2018 Denovo design tutorial 2 with PDB 1C87
- 16:54, 23 March 2018 (diff | hist) . . (+74) . . 2018 Denovo design tutorial 2 with PDB 1C87
- 16:52, 23 March 2018 (diff | hist) . . (+2) . . 2018 Denovo design tutorial 2 with PDB 1C87
- 16:48, 23 March 2018 (diff | hist) . . (+20) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Molecular Footprint)
- 16:47, 23 March 2018 (diff | hist) . . (+72) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Creating the box)
- 16:46, 23 March 2018 (diff | hist) . . (+4) . . 2018 DOCK tutorial 2 with PDBID 1C87 (Undo revision 10865 by AMS536 2018 02 (talk))
- 16:42, 23 March 2018 (diff | hist) . . (-4) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Creating the box)
- 16:41, 23 March 2018 (diff | hist) . . (+46) . . N File:Box-sphere.png (Receptor with selected spheres and box outline) (top)
- 14:23, 22 February 2018 (diff | hist) . . (+32) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Molecular Footprint)
- 20:00, 21 February 2018 (diff | hist) . . (+268) . . m 2018 Denovo design tutorial 2 with PDB 1C87 (→Denovo Rescore)
- 19:58, 21 February 2018 (diff | hist) . . (0) . . N File:Denovo rescore.png (top)
- 19:53, 21 February 2018 (diff | hist) . . (+2,501) . . m 2018 Denovo design tutorial 2 with PDB 1C87
- 19:43, 21 February 2018 (diff | hist) . . (+10,641) . . N 2018 Denovo design tutorial 2 with PDB 1C87 (Created page with "==2017 Denovo design tutorial 1 with PDB 1C87== ==Preparing The Files== First of all, we need to create a directory for the fragment library. mkdir fraglib Once fraglib di...")
- 16:31, 21 February 2018 (diff | hist) . . (+49) . . NOVA (Navigation and Optimization for Virtual Assembly)
- 15:23, 21 February 2018 (diff | hist) . . (0) . . N File:Footprint ex.png (top)
- 22:37, 12 February 2018 (diff | hist) . . (+165) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→V. Docking a Single Molecule for Pose Reproduction)
- 22:04, 12 February 2018 (diff | hist) . . (+152) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Rescoring Docked Molecules)
- 21:40, 12 February 2018 (diff | hist) . . (+11) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Rescoring Docked Molecules)
- 21:40, 12 February 2018 (diff | hist) . . (+261) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Rescoring Docked Molecules)
- 21:37, 12 February 2018 (diff | hist) . . (+6,865) . . 2018 DOCK tutorial 2 with PDBID 1C87
- 15:06, 12 February 2018 (diff | hist) . . (+8) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→II. Preparing the Receptor and Ligand: surface editing > structure editing)
- 15:03, 12 February 2018 (diff | hist) . . (+1) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→II. Preparing the Receptor and Ligand)
- 15:02, 12 February 2018 (diff | hist) . . (+171) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→II. Preparing the Receptor and Ligand)
- 14:44, 12 February 2018 (diff | hist) . . (+8) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Organizing Directories)
- 14:43, 12 February 2018 (diff | hist) . . (+16) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Generating the Receptor Surface)
- 14:39, 12 February 2018 (diff | hist) . . (+644) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Organizing Directories)
- 14:08, 12 February 2018 (diff | hist) . . (+8) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Cartesian Minimization of Docked Molecules)
- 13:58, 12 February 2018 (diff | hist) . . (0) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Using Large Computational Resources (MPI))
- 13:56, 12 February 2018 (diff | hist) . . (+43) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→VI. Virtual Screening)
- 13:53, 12 February 2018 (diff | hist) . . (+50) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→IV. Generating Box and Grid: Added box and grid headers)
- 16:33, 11 February 2018 (diff | hist) . . (+12,661) . . 2018 DOCK tutorial 2 with PDBID 1C87 (Added a little more detail to previous instructions. Created cartesian minimization section, molecular footprint section and MPI submission scripts)
- 03:11, 10 February 2018 (diff | hist) . . (0) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Minimization)
- 03:08, 10 February 2018 (diff | hist) . . (+116) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Generating the Receptor Surface)
- 03:08, 10 February 2018 (diff | hist) . . (0) . . N File:Selected spheres and receptor.png (top)
- 03:03, 10 February 2018 (diff | hist) . . (+25) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Generating the Receptor Surface)
- 03:03, 10 February 2018 (diff | hist) . . (0) . . N File:Generated speres and receptor.png (top)
- 15:52, 7 February 2018 (diff | hist) . . (+94) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Minimization)
- 15:42, 7 February 2018 (diff | hist) . . (+31) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Minimization)
- 22:58, 6 February 2018 (diff | hist) . . (+5,746) . . 2018 DOCK tutorial 2 with PDBID 1C87
- 22:45, 6 February 2018 (diff | hist) . . (0) . . N File:1c87 fad.png (top)
- 22:43, 6 February 2018 (diff | hist) . . (+118) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Flexible Docking)
- 22:41, 6 February 2018 (diff | hist) . . (0) . . N File:1c87 flex.png (top)
- 22:05, 6 February 2018 (diff | hist) . . (-1) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Fixed Anchor Docking)
- 22:00, 6 February 2018 (diff | hist) . . (+16) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Fixed Anchor Docking)
- 21:48, 6 February 2018 (diff | hist) . . (+15) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Flexible Docking)
- 21:36, 6 February 2018 (diff | hist) . . (-1) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Flexible Docking)
- 13:48, 6 February 2018 (diff | hist) . . (+4) . . 2018 DOCK tutorial 2 with PDBID 1C87 (→Generating the Receptor Surface)
- 13:47, 6 February 2018 (diff | hist) . . (-13) . . m 2018 DOCK tutorial 2 with PDBID 1C87 (→Generating the Receptor Surface)
- 13:46, 6 February 2018 (diff | hist) . . (0) . . N File:Generated1c87spheres.png (top)
- 13:38, 6 February 2018 (diff | hist) . . (+75) . . 2018 DOCK tutorial 2 with PDBID 1C87
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