User contributions
(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
- 14:51, 27 March 2023 (diff | hist) . . (0) . . N File:2p16resocre.png (top)
- 14:49, 27 March 2023 (diff | hist) . . (0) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Focused De Novo Rescored)
- 14:24, 27 March 2023 (diff | hist) . . (+40) . . 2023 AMBER tutorial 1 with PDBID 4S0V (→Production Run)
- 14:07, 27 March 2023 (diff | hist) . . (+76) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Box generation)
- 14:01, 27 March 2023 (diff | hist) . . (+40) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Box generation)
- 12:28, 27 March 2023 (diff | hist) . . (+47) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Surface & Spheres)
- 12:25, 27 March 2023 (diff | hist) . . (+18) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Surface Generation)
- 12:15, 27 March 2023 (diff | hist) . . (+59) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Preparing the Ligand)
- 11:49, 27 March 2023 (diff | hist) . . (+61) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Adding Charges)
- 11:03, 27 March 2023 (diff | hist) . . (-3) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Using the Terminal)
- 11:03, 27 March 2023 (diff | hist) . . (+299) . . 2023 DOCK tutorial 2 with PDBID 3WZE (→Using the Terminal)
- 08:07, 27 March 2023 (diff | hist) . . (+252) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 08:06, 27 March 2023 (diff | hist) . . (0) . . File:2P16 VS original lig structure.png (Stonybrook uploaded a new version of File:2P16 VS original lig structure.png) (top)
- 08:05, 27 March 2023 (diff | hist) . . (+188) . . N File:2P16 VS original lig structure.png (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.)
- 08:03, 27 March 2023 (diff | hist) . . (+121) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 08:01, 27 March 2023 (diff | hist) . . (+44) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 08:00, 27 March 2023 (diff | hist) . . (+128) . . N File:2P16 vsresult original withRec.png (2p16 virtual screening highest grid-scored result and the original PDB structured ligand, both shown against the binding pocket.) (top)
- 20:49, 26 March 2023 (diff | hist) . . (-20) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→De Novo Design)
- 20:48, 26 March 2023 (diff | hist) . . (-62) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Focused De Novo Rescored)
- 20:46, 26 March 2023 (diff | hist) . . (+151) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→De Novo Design)
- 20:44, 26 March 2023 (diff | hist) . . (+6,378) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Focused De Novo Rescored)
- 20:42, 26 March 2023 (diff | hist) . . (+10) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Focused De Novo Growth)
- 20:42, 26 March 2023 (diff | hist) . . (+5,514) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Focused De Novo Growth)
- 20:40, 26 March 2023 (diff | hist) . . (+3) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Fragment Library Generation)
- 20:40, 26 March 2023 (diff | hist) . . (+143) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→Fragment Library Generation)
- 20:39, 26 March 2023 (diff | hist) . . (+67) . . 2023 Denovo tutorial 3 with PDBID 2P16 (→De Novo Design)
- 19:59, 26 March 2023 (diff | hist) . . (+22) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Fixed Anchor Docking)
- 13:37, 26 March 2023 (diff | hist) . . (+8) . . 2023 AMBER tutorial 2 with PDBID 3WZE
- 13:37, 26 March 2023 (diff | hist) . . (+28) . . 2023 AMBER tutorial 2 with PDBID 3WZE
- 13:36, 26 March 2023 (diff | hist) . . (+4) . . 2023 AMBER tutorial 2 with PDBID 3WZE
- 13:35, 26 March 2023 (diff | hist) . . (+294) . . N 2023 AMBER tutorial 2 with PDBID 3WZE (Created page with " == '''Introduction''' == == '''Directory Setup''' == == '''3WZE Structures''' == ==="Receptor"=== ==="Ligand"=== =="Amber Simulation Parameters"== =="Tleap"==...")
- 19:08, 25 March 2023 (diff | hist) . . (+206) . . N 2023 AMBER tutorial 3 with PDBID 2P16 (Created page with "== '''Introduction''' == == '''Preparing the Structure''' == == '''Simulation Parameters''' == == '''TLeap''' == == '''Equilibration''' == == '''Production...")
- 19:04, 25 March 2023 (diff | hist) . . (+44) . . AMBER Tutorials
- 15:29, 25 March 2023 (diff | hist) . . (+5,741) . . 2023 DOCK tutorial 3 with PDBID 2P16
- 15:29, 25 March 2023 (diff | hist) . . (+142) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 15:05, 25 March 2023 (diff | hist) . . (+11) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 15:02, 25 March 2023 (diff | hist) . . (+84) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 14:58, 25 March 2023 (diff | hist) . . (+24) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Virtual Screening)
- 14:56, 25 March 2023 (diff | hist) . . (+6,904) . . 2023 DOCK tutorial 3 with PDBID 2P16
- 12:26, 24 March 2023 (diff | hist) . . (-3) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Ligand Minimization)
- 12:25, 24 March 2023 (diff | hist) . . (-2) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Ligand Preparation)
- 12:25, 24 March 2023 (diff | hist) . . (0) . . N File:2p16nohligand.png (top)
- 12:24, 24 March 2023 (diff | hist) . . (0) . . N File:2p16ligandminscored.png (top)
- 12:16, 24 March 2023 (diff | hist) . . (+13) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Ligand Minimization)
- 12:15, 24 March 2023 (diff | hist) . . (0) . . N File:2p16 gridbox.png (top)
- 12:15, 24 March 2023 (diff | hist) . . (+13) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Box Generation)
- 12:13, 24 March 2023 (diff | hist) . . (0) . . N File:2p16 selected spheres.png (top)
- 12:13, 24 March 2023 (diff | hist) . . (0) . . N File:2p16 spheres.png (top)
- 12:13, 24 March 2023 (diff | hist) . . (+7) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Sphere Generation)
- 12:13, 24 March 2023 (diff | hist) . . (+13) . . 2023 DOCK tutorial 3 with PDBID 2P16 (→Sphere Selection)
(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
