Recent changes
Track the most recent changes to the wiki on this page.
Track the most recent changes to the wiki on this page.
15 May 2025
| 20:55 | Test Set Construction SB2024 V1 DOCK6.10 A (3 changes | history) . . (+688) . . [Ccorbo (3×)] | |
| 20:55 (cur | last) . . (+139) . . Ccorbo (talk | contribs) (→II. Preliminary File Preparation) | ||
| 20:53 (cur | last) . . (+2) . . Ccorbo (talk | contribs) (→I.Introduction) | ||
| 20:52 (cur | last) . . (+547) . . Ccorbo (talk | contribs) (→I.Introduction) |
13 May 2025
| 13:41 | 2025 DOCK tutorial 1 with PDBID 1O86 (43 changes | history) . . (+4,444) . . [Stonybrook (43×)] | |
| 13:41 (cur | last) . . (+14) . . Stonybrook (talk | contribs) (→Running The Denovo Calculation) | ||
| 13:40 (cur | last) . . (+15) . . Stonybrook (talk | contribs) (→Generating a Dummy Atom) | ||
| 13:38 (cur | last) . . (+87) . . Stonybrook (talk | contribs) (→Generating a Dummy Atom) | ||
| 13:34 (cur | last) . . (-2) . . Stonybrook (talk | contribs) (→Selecting a Dummy Atom) | ||
| 13:33 (cur | last) . . (+95) . . Stonybrook (talk | contribs) (→009: Genetic Algorithm) | ||
| 13:32 (cur | last) . . (-10) . . Stonybrook (talk | contribs) (→009: Genetic Algorithm) | ||
| 13:30 (cur | last) . . (+156) . . Stonybrook (talk | contribs) (→Re-scoring Docked Molecules) | ||
| 13:26 (cur | last) . . (+145) . . Stonybrook (talk | contribs) (→Slurm and Job Submission) | ||
| 13:22 (cur | last) . . (+370) . . Stonybrook (talk | contribs) (→Slurm and Job Submission) | ||
| 13:17 (cur | last) . . (+14) . . Stonybrook (talk | contribs) (→Input File) | ||
| 13:15 (cur | last) . . (+87) . . Stonybrook (talk | contribs) (→007: Footprint Scoring) | ||
| 13:09 (cur | last) . . (-13) . . Stonybrook (talk | contribs) (→007: Footprint Scoring) | ||
| 13:04 (cur | last) . . (+206) . . Stonybrook (talk | contribs) (→006: Flexible Docking) | ||
| 13:01 (cur | last) . . (+1) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:58 (cur | last) . . (+274) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:54 (cur | last) . . (+47) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:54 (cur | last) . . (-1) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:51 (cur | last) . . (+40) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:51 (cur | last) . . (+1,585) . . Stonybrook (talk | contribs) (→005: Rigid Docking) | ||
| 12:45 (cur | last) . . (+180) . . Stonybrook (talk | contribs) (→004: Minimization) | ||
| 12:44 (cur | last) . . (+700) . . Stonybrook (talk | contribs) (→004: Minimization) | ||
| 12:37 (cur | last) . . (-1,507) . . Stonybrook (talk | contribs) (→Ligand Minimization) | ||
| 12:34 (cur | last) . . (+811) . . Stonybrook (talk | contribs) (→Ligand Minimization) | ||
| 12:27 (cur | last) . . (+28) . . Stonybrook (talk | contribs) (→Ligand Minimization) | ||
| 12:26 (cur | last) . . (+94) . . Stonybrook (talk | contribs) (→Ligand Minimization) | ||
| 12:24 (cur | last) . . (+302) . . Stonybrook (talk | contribs) (→Generating the Grid) | ||
| 12:16 (cur | last) . . (+13) . . Stonybrook (talk | contribs) (→Generating the Box) | ||
| 12:15 (cur | last) . . (-1) . . Stonybrook (talk | contribs) (→Generating the Box) | ||
| 12:14 (cur | last) . . (+122) . . Stonybrook (talk | contribs) (→003: Grid/box) | ||
| 12:13 (cur | last) . . (+156) . . Stonybrook (talk | contribs) (→Selecting Spheres Localized on Binding Site) | ||
| 12:13 (cur | last) . . (+104) . . Stonybrook (talk | contribs) (→Selecting Spheres Localized on Binding Site) | ||
| 12:10 (cur | last) . . (+6) . . Stonybrook (talk | contribs) (→Selecting Spheres Localized on Binding Site) | ||
| 12:09 (cur | last) . . (+10) . . Stonybrook (talk | contribs) (→Preparing the Ligand) | ||
| 12:09 (cur | last) . . (+2) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:08 (cur | last) . . (0) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:07 (cur | last) . . (+4) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:05 (cur | last) . . (-7) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:04 (cur | last) . . (+77) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:01 (cur | last) . . (+112) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:00 (cur | last) . . (-2) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 12:00 (cur | last) . . (-15) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 11:59 (cur | last) . . (+132) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) | ||
| 11:47 (cur | last) . . (+13) . . Stonybrook (talk | contribs) (→Generate the Required Surface File) |
| 13:01 | (Upload_log) . . [Stonybrook (4×)] | |
| 13:01 . . Stonybrook (talk | contribs) uploaded File:1O86 rigiddockingviewdock2.png | ||
| 12:44 . . Stonybrook (talk | contribs) uploaded File:1O86 ligminoverlay.png | ||
| 12:12 . . Stonybrook (talk | contribs) uploaded File:1O86 selsphereoverlay.png | ||
| 12:05 . . Stonybrook (talk | contribs) uploaded File:1O86 allsphereoverlay.png |
