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For AMS536 2018 02 (talk | block log | uploads | logs)

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16:26, 4 April 2018 (diff | hist) . . (+144)‎ . . 2018 AMBER tutorial with 1c87 ‎ (top)
16:24, 4 April 2018 (diff | hist) . . (0)‎ . . N File:Screen Shot 2018-04-04 at 4.21.40 PM.png ‎ (top)
16:59, 2 April 2018 (diff | hist) . . (+59)‎ . . m 2018 AMBER tutorial with 1c87 ‎ (→‎MM-GBSA)
16:57, 2 April 2018 (diff | hist) . . (+3,528)‎ . . 2018 AMBER tutorial with 1c87 ‎ (→‎V. Simulation Analysis)
16:57, 28 March 2018 (diff | hist) . . (+35)‎ . . m 2018 AMBER tutorial with 1c87 ‎
16:50, 28 March 2018 (diff | hist) . . (-1)‎ . . 2018 AMBER tutorial with 1c87 ‎ (→‎IV. Simulation Analysis)
16:49, 28 March 2018 (diff | hist) . . (+1,721)‎ . . 2018 AMBER tutorial with 1c87 ‎
15:30, 26 March 2018 (diff | hist) . . (+57)‎ . . m 2018 AMBER tutorial with 1c87 ‎ (→‎IV. Production)
15:29, 26 March 2018 (diff | hist) . . (+102)‎ . . m 2018 AMBER tutorial with 1c87 ‎
15:27, 26 March 2018 (diff | hist) . . (+2,372)‎ . . 2018 AMBER tutorial with 1c87 ‎
15:23, 26 March 2018 (diff | hist) . . (0)‎ . . N File:Screen Shot 2018-03-26 at 3.22.09 PM.png ‎ (top)
14:25, 26 March 2018 (diff | hist) . . (+1)‎ . . m 2018 AMBER tutorial with 1c87 ‎
14:24, 26 March 2018 (diff | hist) . . (+88)‎ . . m 2018 AMBER tutorial with 1c87 ‎
14:22, 26 March 2018 (diff | hist) . . (+7)‎ . . m 2018 AMBER tutorial with 1c87 ‎
14:12, 26 March 2018 (diff | hist) . . (+13,752)‎ . . N 2018 AMBER tutorial with 1c87 ‎ (Created page with "In this tutorial, we will learn how to run a MD simulation of a protein-ligand complex and learn how to calculate structural fluctuations (with RMSD) and free energies of bind...")
13:45, 26 March 2018 (diff | hist) . . (+36)‎ . . AMBER Tutorials ‎
17:30, 23 March 2018 (diff | hist) . . (-68)‎ . . 2018 DOCK tutorial 2 with PDBID 1C87 ‎ (→‎Creating the box)
17:28, 23 March 2018 (diff | hist) . . (+10,033)‎ . . 2018 Denovo design tutorial 2 with PDB 1C87 ‎ (→‎De novo design with PDB 1C87 generic fragment library)
17:17, 23 March 2018 (diff | hist) . . (+1)‎ . . 2018 Denovo design tutorial 2 with PDB 1C87 ‎ (→‎Denovo Rescore)
16:58, 23 March 2018 (diff | hist) . . (-4)‎ . . 2018 Denovo design tutorial 2 with PDB 1C87 ‎
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 ‎
13:33, 6 February 2018 (diff | hist) . . (0)‎ . . N File:Spheres in grid.png ‎ (top)
13:29, 6 February 2018 (diff | hist) . . (0)‎ . . N File:Rigiddocking with receptor.png ‎ (top)
13:29, 6 February 2018 (diff | hist) . . (+63)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎ (→‎Rigid Docking)
13:27, 6 February 2018 (diff | hist) . . (0)‎ . . N File:Grid Score.png ‎ (top)
08:34, 6 February 2018 (diff | hist) . . (+326)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
19:50, 5 February 2018 (diff | hist) . . (+11,474)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
19:41, 5 February 2018 (diff | hist) . . (-343)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
19:15, 5 February 2018 (diff | hist) . . (+5,302)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
16:26, 5 February 2018 (diff | hist) . . (+23)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎ (→‎IV. Generating Box and Grid)
02:44, 1 February 2018 (diff | hist) . . (+161)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
02:40, 1 February 2018 (diff | hist) . . (+300)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
23:55, 31 January 2018 (diff | hist) . . (+10)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
23:42, 31 January 2018 (diff | hist) . . (0)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
23:41, 31 January 2018 (diff | hist) . . (+9)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
23:39, 31 January 2018 (diff | hist) . . (+6,067)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
20:02, 31 January 2018 (diff | hist) . . (+4)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
20:02, 31 January 2018 (diff | hist) . . (+52)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
19:48, 31 January 2018 (diff | hist) . . (+1,531)‎ . . 2018 DOCK tutorial 2 with PDBID 1C87 ‎
18:56, 31 January 2018 (diff | hist) . . (+78)‎ . . 2018 DOCK tutorial 2 with PDBID 1C87 ‎
18:42, 31 January 2018 (diff | hist) . . (-1)‎ . . m 2018 DOCK tutorial 2 with PDBID 1C87 ‎
18:41, 31 January 2018 (diff | hist) . . (+1,727)‎ . . 2018 DOCK tutorial 2 with PDBID 1C87 ‎
18:09, 31 January 2018 (diff | hist) . . (+1,689)‎ . . N 2018 DOCK tutorial 2 with PDBID 1C87 ‎ (Created page with "For additional Rizzo Lab tutorials see DOCK Tutorials. Use this link Wiki Formatting as a reference for editing the wiki. This tutorial was developed collaboratively by the AM...")

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