User contributions

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• 22:04, 4 May 2022 (diff | hist) . . (0)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎ (→‎introduction) (top)
• 22:04, 4 May 2022 (diff | hist) . . (+40)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎
• 22:02, 4 May 2022 (diff | hist) . . (+4,762)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎
• 15:13, 4 May 2022 (diff | hist) . . (+163)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore) (top)
• 15:12, 4 May 2022 (diff | hist) . . (-2)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore)
• 15:11, 4 May 2022 (diff | hist) . . (0)‎ . . N File:6ME2.topscoreligand.png ‎ (top)
• 15:10, 4 May 2022 (diff | hist) . . (+160)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore)
• 15:09, 4 May 2022 (diff | hist) . . (+39)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore)
• 15:08, 4 May 2022 (diff | hist) . . (0)‎ . . File:6ME2.dn2ndscoreligand.png ‎ (Stonybrook uploaded a new version of File:6ME2.dn2ndscoreligand.png) (top)
• 15:08, 4 May 2022 (diff | hist) . . (0)‎ . . File:6ME2.dnallligands.png ‎ (Stonybrook uploaded a new version of File:6ME2.dnallligands.png) (top)
• 15:01, 4 May 2022 (diff | hist) . . (0)‎ . . N File:6ME2.dn2ndscoreligand.png ‎
• 15:01, 4 May 2022 (diff | hist) . . (0)‎ . . N File:6ME2.dnallligands.png ‎
• 21:33, 3 May 2022 (diff | hist) . . (-970)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎
• 21:31, 3 May 2022 (diff | hist) . . (+13,628)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎
• 21:08, 3 May 2022 (diff | hist) . . (+3,802)‎ . . 2022 AMBER tutorial 3 with PDBID 1X70 ‎
• 20:54, 3 May 2022 (diff | hist) . . (+1,486)‎ . . N 2022 AMBER tutorial 3 with PDBID 1X70 ‎ (Created page with "== "introduction" == In this tutorial, we will be doing molecular dynamics (MD) simulations using Amber 16. This will allow us to obtain much more detailed information abou...")
• 20:33, 3 May 2022 (diff | hist) . . (+4,582)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎MD Analysis) (top)
• 20:11, 3 May 2022 (diff | hist) . . (+2,413)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎MD Production)
• 19:44, 3 May 2022 (diff | hist) . . (+10,927)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Equilibrating the system)
• 17:32, 3 May 2022 (diff | hist) . . (+277)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Using TLeap)
• 17:30, 3 May 2022 (diff | hist) . . (+1,944)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Using TLeap)
• 17:21, 3 May 2022 (diff | hist) . . (+125)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Ligand File Generation)
• 17:19, 3 May 2022 (diff | hist) . . (-16)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Ligand File Generation)
• 17:17, 3 May 2022 (diff | hist) . . (-1)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Receptor File Generation)
• 17:17, 3 May 2022 (diff | hist) . . (-3)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Receptor File Generation)
• 10:44, 3 May 2022 (diff | hist) . . (+195)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Generating Simulation Parameters)
• 10:15, 3 May 2022 (diff | hist) . . (+558)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Generating Simulation Parameters)
• 01:22, 3 May 2022 (diff | hist) . . (+85)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Ligand File Generation)
• 01:17, 3 May 2022 (diff | hist) . . (+511)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Ligand File Generation)
• 00:45, 3 May 2022 (diff | hist) . . (0)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Receptor File Generation)
• 00:44, 3 May 2022 (diff | hist) . . (+914)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎6ME2 Structure Files)
• 23:18, 2 May 2022 (diff | hist) . . (+686)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎6ME2 Structure Files)
• 23:07, 2 May 2022 (diff | hist) . . (+196)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Directory Setup)
• 23:06, 2 May 2022 (diff | hist) . . (+185)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Introduction)
• 14:57, 2 May 2022 (diff | hist) . . (+10)‎ . . 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (→‎Calculating Hydrogen Bonds)
• 14:56, 2 May 2022 (diff | hist) . . (+434)‎ . . N 2022 AMBER tutorial 1 with PDBID 6ME2 ‎ (Created page with "== '''Introduction''' == == '''Directory Setup''' == == '''6ME2 Structure Files''' == === '''Receptor File Generation''' === === '''Ligand File Generation''' === == '''Ge...")
• 10:21, 2 May 2022 (diff | hist) . . (+121)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo growth)
• 10:17, 2 May 2022 (diff | hist) . . (+6,277)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo growth)
• 11:37, 21 April 2022 (diff | hist) . . (0)‎ . . 2022 AMS-536 Spring ‎
• 13:43, 21 March 2022 (diff | hist) . . (-35)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Fixed Anchor Docking) (top)
• 13:43, 21 March 2022 (diff | hist) . . (-71)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rigid Docking)
• 13:38, 21 March 2022 (diff | hist) . . (+20)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Calculating Molecular Footprint)
• 13:37, 21 March 2022 (diff | hist) . . (-16)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Fixed Anchor Docking)
• 13:34, 21 March 2022 (diff | hist) . . (+8)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Energy Minimization)
• 12:14, 21 March 2022 (diff | hist) . . (+954)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore)
• 12:05, 21 March 2022 (diff | hist) . . (+7,005)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎Focused de novo rescore)
• 18:46, 19 March 2022 (diff | hist) . . (+1)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎
• 18:45, 19 March 2022 (diff | hist) . . (-15)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎
• 18:42, 19 March 2022 (diff | hist) . . (+1)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎
• 18:39, 19 March 2022 (diff | hist) . . (+88)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎
• 18:35, 19 March 2022 (diff | hist) . . (+2)‎ . . 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (→‎I. De novo design)
• 18:35, 19 March 2022 (diff | hist) . . (+342)‎ . . N 2022 Denovo tutorial 1 with PDBID 6ME2 ‎ (Created page with "This article is a continuation of PDBID 6ME2, with the previous one detailing how to run a virtual screen on this protein. This article will detail how to run a focused de nov...")
• 13:14, 10 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Selecting Relevant Spheres)
• 13:12, 10 March 2022 (diff | hist) . . (+2)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Grid Generation)
• 13:12, 10 March 2022 (diff | hist) . . (+102)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Grid Generation)
• 13:11, 10 March 2022 (diff | hist) . . (+1,693)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating Box/Grid)
• 12:46, 10 March 2022 (diff | hist) . . (0)‎ . . N File:Afewbubbles.png ‎ (top)
• 12:45, 10 March 2022 (diff | hist) . . (+191)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Selecting Relevant Spheres)
• 12:39, 10 March 2022 (diff | hist) . . (+219)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Selecting Relevant Spheres)
• 12:30, 10 March 2022 (diff | hist) . . (0)‎ . . N File:Allthebubbles.png ‎ (top)
• 12:29, 10 March 2022 (diff | hist) . . (+113)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:23, 10 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:23, 10 March 2022 (diff | hist) . . (+95)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:21, 10 March 2022 (diff | hist) . . (+562)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:05, 10 March 2022 (diff | hist) . . (+1)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:05, 10 March 2022 (diff | hist) . . (+28)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 12:04, 10 March 2022 (diff | hist) . . (-318)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 11:52, 10 March 2022 (diff | hist) . . (+454)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Creating Surface Spheres)
• 11:04, 10 March 2022 (diff | hist) . . (0)‎ . . N File:Surfacesssssss.png ‎ (top)
• 11:04, 10 March 2022 (diff | hist) . . (+7)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating DMS of receptor)
• 11:03, 10 March 2022 (diff | hist) . . (+20)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating DMS of receptor)
• 11:02, 10 March 2022 (diff | hist) . . (-22)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating DMS of receptor)
• 11:01, 10 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating DMS of receptor)
• 10:13, 10 March 2022 (diff | hist) . . (+381)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Generating DMS of receptor)
• 10:11, 10 March 2022 (diff | hist) . . (+66)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 10:07, 10 March 2022 (diff | hist) . . (-90)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Prepping the receptor)
• 10:06, 10 March 2022 (diff | hist) . . (-86)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Prepping the ligand)
• 10:06, 10 March 2022 (diff | hist) . . (0)‎ . . N File:Goodjev.png ‎ (top)
• 10:05, 10 March 2022 (diff | hist) . . (0)‎ . . N File:Badjev.png ‎ (top)
• 10:05, 10 March 2022 (diff | hist) . . (+222)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 16:34, 9 March 2022 (diff | hist) . . (+10)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Energy Minimization)
• 16:31, 9 March 2022 (diff | hist) . . (0)‎ . . N File:Mol foot 6me2.png ‎ (top)
• 16:28, 9 March 2022 (diff | hist) . . (0)‎ . . N File:Lig min score.png ‎ (top)
• 16:27, 9 March 2022 (diff | hist) . . (0)‎ . . N File:Rigid with ligand img.png ‎ (top)
• 16:27, 9 March 2022 (diff | hist) . . (0)‎ . . N File:Fad with liand img.png ‎ (top)
• 16:01, 9 March 2022 (diff | hist) . . (-7)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 16:01, 9 March 2022 (diff | hist) . . (+7)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 14:45, 9 March 2022 (diff | hist) . . (-2)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎"Rescore") (top)
• 14:45, 9 March 2022 (diff | hist) . . (-2)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎"Cartesian Minimization")
• 14:45, 9 March 2022 (diff | hist) . . (+12,624)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Virtual Screen)
• 14:39, 9 March 2022 (diff | hist) . . (+8,883)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Rescoring) (top)
• 14:32, 9 March 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Virtual Screen)
• 13:44, 9 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Cartesian Minimization)
• 13:43, 9 March 2022 (diff | hist) . . (+38)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Rescoring)
• 13:43, 9 March 2022 (diff | hist) . . (+934)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Cartesian Minimization)
• 13:24, 9 March 2022 (diff | hist) . . (+5,678)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Footprint Analysis)
• 12:54, 9 March 2022 (diff | hist) . . (+115)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Calculating Molecular Footprint)
• 12:50, 9 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 12:49, 9 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Cartesian Minimization of Docked Molecules)
• 12:45, 9 March 2022 (diff | hist) . . (-17)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎
• 12:01, 9 March 2022 (diff | hist) . . (0)‎ . . File:Receptor+ligand+showbox.png ‎ (Stonybrook uploaded a new version of File:Receptor+ligand+showbox.png) (top)
• 12:00, 9 March 2022 (diff | hist) . . (0)‎ . . File:Receptor+ligand+showbox.png ‎ (Stonybrook uploaded a new version of File:Receptor+ligand+showbox.png)
• 11:57, 9 March 2022 (diff | hist) . . (+37)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 11:56, 9 March 2022 (diff | hist) . . (+81)‎ . . N File:Receptor+ligand+showbox.png ‎ (This is what Chimera should be showing before loading in your rescored molecules!)
• 11:54, 9 March 2022 (diff | hist) . . (+517)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 11:46, 9 March 2022 (diff | hist) . . (+265)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 11:52, 8 March 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Flexible Docking)
• 11:52, 8 March 2022 (diff | hist) . . (+6,950)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Docking & Virtual Screening)
• 11:36, 8 March 2022 (diff | hist) . . (+5,346)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Docking & Virtual Screening)
• 16:59, 7 March 2022 (diff | hist) . . (+159)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Cartesian Minimization)
• 16:56, 7 March 2022 (diff | hist) . . (0)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (top)
• 16:56, 7 March 2022 (diff | hist) . . (-21)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 16:54, 7 March 2022 (diff | hist) . . (+195)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 16:51, 7 March 2022 (diff | hist) . . (+110)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 16:50, 7 March 2022 (diff | hist) . . (0)‎ . . N File:Compoud193 footprint.txt.png ‎ (top)
• 16:50, 7 March 2022 (diff | hist) . . (0)‎ . . N File:Compoud221 footprint.txt.png ‎ (top)
• 16:32, 7 March 2022 (diff | hist) . . (+4,813)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎
• 16:27, 7 March 2022 (diff | hist) . . (+4,456)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Cartesian Minimization)
• 16:18, 7 March 2022 (diff | hist) . . (-1)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 16:09, 7 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 16:08, 7 March 2022 (diff | hist) . . (+2)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Cartesian Minimization of Docked Molecules)
• 16:07, 7 March 2022 (diff | hist) . . (+7,765)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rescoring Docked Molecules)
• 16:05, 7 March 2022 (diff | hist) . . (-59)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Virtual Screening)
• 16:05, 7 March 2022 (diff | hist) . . (+35)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Virtual Screening)
• 15:57, 7 March 2022 (diff | hist) . . (-144)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎4ZUD System)
• 15:56, 7 March 2022 (diff | hist) . . (+234)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎4ZUD System)
• 15:52, 7 March 2022 (diff | hist) . . (+613)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎4ZUD System)
• 15:34, 7 March 2022 (diff | hist) . . (-144)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 15:31, 7 March 2022 (diff | hist) . . (+84)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Protein Preparation)
• 15:29, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4zud protein dockprep panel3.png ‎ (top)
• 15:29, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4zud protein dockprep panel2.png ‎ (top)
• 15:28, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4zud protein dockprep panel1.png ‎ (top)
• 15:27, 7 March 2022 (diff | hist) . . (-2,256)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Protein Preparation)
• 15:22, 7 March 2022 (diff | hist) . . (+2)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 15:22, 7 March 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 15:21, 7 March 2022 (diff | hist) . . (+33)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Virtual Screening)
• 15:07, 7 March 2022 (diff | hist) . . (-29)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎DOCKING)
• 15:05, 7 March 2022 (diff | hist) . . (+160)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎DOCKING)
• 14:56, 7 March 2022 (diff | hist) . . (+5)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (→‎Focused De Novo Rescored)
• 14:50, 7 March 2022 (diff | hist) . . (+3)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (→‎Focused De Novo Rescored)
• 14:50, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4ZUD lowestFPscore denovo molecule new(1).png ‎ (top)
• 14:47, 7 March 2022 (diff | hist) . . (0)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (→‎Focused De Novo Rescored)
• 14:46, 7 March 2022 (diff | hist) . . (+4)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (→‎Focused De Novo Rescored)
• 14:45, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4ZUD highestFPscore denovo molecule new.png ‎ (top)
• 14:45, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4ZUD minimized lig & flex new.png ‎ (top)
• 14:45, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4ZUD minimized lig & fad new.png ‎ (top)
• 14:44, 7 March 2022 (diff | hist) . . (0)‎ . . N File:4ZUD minimized lig & rigid new(1).png ‎ (top)
• 14:27, 7 March 2022 (diff | hist) . . (+71)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Making the grid)
• 14:25, 7 March 2022 (diff | hist) . . (+34)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Surface Generation & Spheres)
• 14:23, 7 March 2022 (diff | hist) . . (-9)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Ligand Prep)
• 14:22, 7 March 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎ (→‎Ligand Prep)
• 14:21, 7 March 2022 (diff | hist) . . (+179)‎ . . 2022 DOCK tutorial 3 with PDBID 1X70 ‎
• 14:12, 7 March 2022 (diff | hist) . . (+5,021)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Calculating Molecular Footprint)
• 13:59, 7 March 2022 (diff | hist) . . (+6,185)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Flexible Docking)
• 13:52, 7 March 2022 (diff | hist) . . (+5,605)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Fixed Anchor Docking)
• 13:43, 7 March 2022 (diff | hist) . . (+4,782)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rigid Docking)
• 13:37, 7 March 2022 (diff | hist) . . (+101)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Rigid Docking)
• 13:36, 7 March 2022 (diff | hist) . . (+4,720)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Docking)
• 13:29, 7 March 2022 (diff | hist) . . (+24)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Virtual Screening)
• 13:27, 7 March 2022 (diff | hist) . . (+6,920)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 12:50, 7 March 2022 (diff | hist) . . (+1)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 12:50, 7 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 12:50, 7 March 2022 (diff | hist) . . (-224)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 12:32, 7 March 2022 (diff | hist) . . (+6,533)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 12:19, 7 March 2022 (diff | hist) . . (+291)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Flex Docking)
• 12:08, 7 March 2022 (diff | hist) . . (+65)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 14:22, 6 March 2022 (diff | hist) . . (-3)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Cartesian Minimization of Docked Molecules)
• 14:21, 6 March 2022 (diff | hist) . . (+5,592)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Cartesian Minimization of Docked Molecules)
• 11:59, 6 March 2022 (diff | hist) . . (+2,030)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening Using MPI)
• 11:40, 6 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening)
• 11:40, 6 March 2022 (diff | hist) . . (+13)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening)
• 11:38, 6 March 2022 (diff | hist) . . (+95)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening)
• 11:36, 6 March 2022 (diff | hist) . . (+7,438)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening)
• 11:10, 6 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Virtual Screening)
• 15:30, 2 March 2022 (diff | hist) . . (+1,092)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 15:07, 2 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 15:06, 2 March 2022 (diff | hist) . . (+77)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 13:51, 2 March 2022 (diff | hist) . . (+355)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 13:38, 2 March 2022 (diff | hist) . . (+29)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 10:47, 2 March 2022 (diff | hist) . . (-1)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎=Opening files in Chimera)
• 12:13, 1 March 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Searching for/Downloading files from the PDB)
• 12:12, 1 March 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Searching for/Downloading files from the PDB)
• 12:12, 1 March 2022 (diff | hist) . . (+15)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Opening files in Chimera)
• 12:10, 1 March 2022 (diff | hist) . . (+7)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Visual configurations)
• 12:10, 1 March 2022 (diff | hist) . . (+11)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Selecting substructures)
• 12:09, 1 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Modifying selected substructures)
• 12:09, 1 March 2022 (diff | hist) . . (+16)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Modifying selected substructures)
• 12:08, 1 March 2022 (diff | hist) . . (+8)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Saving sessions)
• 12:08, 1 March 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Initial investigation/preparation)
• 12:08, 1 March 2022 (diff | hist) . . (+12)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 12:07, 1 March 2022 (diff | hist) . . (+64)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 12:04, 1 March 2022 (diff | hist) . . (+71)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Initial investigation/preparation)
• 12:01, 1 March 2022 (diff | hist) . . (+54)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 12:00, 1 March 2022 (diff | hist) . . (+790)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Isolating the ligand and receptor)
• 22:08, 28 February 2022 (diff | hist) . . (+820)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Initial investigation/preparation)
• 21:59, 28 February 2022 (diff | hist) . . (-86)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Initial investigation/preparation)
• 21:51, 28 February 2022 (diff | hist) . . (+216)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Organizing File Directories)
• 21:42, 28 February 2022 (diff | hist) . . (+4)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:42, 28 February 2022 (diff | hist) . . (-1)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:42, 28 February 2022 (diff | hist) . . (+56)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Chimera)
• 21:42, 28 February 2022 (diff | hist) . . (-55)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:41, 28 February 2022 (diff | hist) . . (+199)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎6ME2)
• 21:13, 28 February 2022 (diff | hist) . . (-84)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Opening and viewing PDB files)
• 21:06, 28 February 2022 (diff | hist) . . (-12)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:04, 28 February 2022 (diff | hist) . . (+2)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:04, 28 February 2022 (diff | hist) . . (+20)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Required Software)
• 21:03, 28 February 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Chimera)
• 21:03, 28 February 2022 (diff | hist) . . (+248)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎DOCK)
• 20:58, 28 February 2022 (diff | hist) . . (+650)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎File transfers to/from Seawulf)
• 20:52, 28 February 2022 (diff | hist) . . (+347)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Logging in and navigating SeaWulf)
• 17:05, 28 February 2022 (diff | hist) . . (+158)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 17:01, 28 February 2022 (diff | hist) . . (+155)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Logging in and navigating SeaWulf)
• 16:35, 28 February 2022 (diff | hist) . . (+4,995)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 16:25, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4zud minimized ligand and flex pose.png ‎ (top)
• 16:25, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4zud minimized ligand and FAD pose.png ‎ (top)
• 16:22, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4zud minimized ligand and rigid pose(1).png ‎ (top)
• 16:22, 28 February 2022 (diff | hist) . . (+4,704)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 16:22, 28 February 2022 (diff | hist) . . (+981)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Logging in and navigating Seawulf)
• 15:58, 28 February 2022 (diff | hist) . . (+1,047)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Basics of the Command Line/Terminal)
• 15:46, 28 February 2022 (diff | hist) . . (+1,762)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Basics of the Command Line/Terminal)
• 15:41, 28 February 2022 (diff | hist) . . (+466)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Box Generation)
• 15:35, 28 February 2022 (diff | hist) . . (0)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎
• 15:33, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4zud pdb mutated back to A53I new.png ‎ (top)
• 15:27, 28 February 2022 (diff | hist) . . (+149)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Basics of the Command Line/Terminal)
• 15:25, 28 February 2022 (diff | hist) . . (+136)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Basics of the Command Line/Terminal)
• 15:23, 28 February 2022 (diff | hist) . . (+163)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Chimera)
• 15:22, 28 February 2022 (diff | hist) . . (-162)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Saving files: file formats)
• 14:54, 28 February 2022 (diff | hist) . . (+5)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎ (→‎Fragment Library Generation)
• 14:52, 28 February 2022 (diff | hist) . . (+192)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:50, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4ZUD highestFPscore denovo molecule.png ‎ (top)
• 14:50, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4ZUD lowestFPscore denovo molecule.png ‎ (top)
• 14:50, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4ZUD minimized lig(1).png ‎ (top)
• 14:49, 28 February 2022 (diff | hist) . . (+6,626)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:44, 28 February 2022 (diff | hist) . . (+771)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:35, 28 February 2022 (diff | hist) . . (+92)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:34, 28 February 2022 (diff | hist) . . (+6)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:33, 28 February 2022 (diff | hist) . . (-156)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:31, 28 February 2022 (diff | hist) . . (+13)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:30, 28 February 2022 (diff | hist) . . (+6)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:30, 28 February 2022 (diff | hist) . . (+14)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:29, 28 February 2022 (diff | hist) . . (0)‎ . . N File:Min ligand.png ‎ (top)
• 14:28, 28 February 2022 (diff | hist) . . (-7)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:28, 28 February 2022 (diff | hist) . . (+14)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:27, 28 February 2022 (diff | hist) . . (+3)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:26, 28 February 2022 (diff | hist) . . (+350)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:25, 28 February 2022 (diff | hist) . . (0)‎ . . N File:4ZUD minimized lig outline & scaffold(1).png ‎ (top)
• 14:23, 28 February 2022 (diff | hist) . . (+532)‎ . . 2022 Denovo tutorial 2 with PDBID 4ZUD ‎
• 14:14, 28 February 2022 (diff | hist) . . (-2)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 14:14, 28 February 2022 (diff | hist) . . (+4,504)‎ . . 2022 DOCK tutorial 2 with PDBID 4ZUD ‎ (→‎Ligand Minimization)
• 13:42, 28 February 2022 (diff | hist) . . (+237)‎ . . 2022 DOCK tutorial 1 with PDBID 6ME2 ‎ (→‎Saving sessions)

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