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- 07:49, 23 September 2022 diff hist -34 m Generating decoys (Reed's way) Reverted edits by Jklyu (talk) to last revision by Fliu current Tag: Rollback
- 22:39, 1 September 2022 diff hist +292 Nm User talk:Omailhot Welcome! current
- 22:39, 1 September 2022 diff hist +86 Nm User:Omailhot Creating user page for new user. current
- 20:36, 31 August 2022 diff hist -1 Tunnel how to current
- 02:39, 20 August 2022 diff hist +384 Schrodinger notes →Troubleshooting current
- 18:16, 18 August 2022 diff hist +2 Ssh tunnel (Trent's way) current
- 22:29, 9 August 2022 diff hist +61 Zfs →Identify failed disk by LED light current
- 05:29, 9 August 2022 diff hist 0 m TLDR:swbatch Khtang moved page TLDR:Swbatch to TLDR:swbatch without leaving a redirect current
- 05:29, 9 August 2022 diff hist 0 m TLDR:strain Khtang moved page TLDR:Strain to TLDR:strain without leaving a redirect current
- 05:29, 9 August 2022 diff hist 0 m TLDR:newbuild3d Khtang moved page TLDR:Newbuild3d to TLDR:newbuild3d without leaving a redirect current
- 05:29, 9 August 2022 diff hist 0 m TLDR:extrema Khtang moved page TLDR:Extrema to TLDR:extrema without leaving a redirect current
- 05:28, 9 August 2022 diff hist 0 m TLDR:dude-z Khtang moved page TLDR:DUDE-Z to TLDR:dude-z without leaving a redirect current
- 05:28, 9 August 2022 diff hist +29 N TLDR:Bootstrap2 Khtang moved page TLDR:Bootstrap2 to TLDR:bootstrap2 current Tag: New redirect
- 05:28, 9 August 2022 diff hist 0 m TLDR:bootstrap2 Khtang moved page TLDR:Bootstrap2 to TLDR:bootstrap2 current
- 05:28, 9 August 2022 diff hist 0 m TLDR:bootstrap1 Khtang moved page TLDR:Bootstrap1 to TLDR:bootstrap1 without leaving a redirect current
- 05:27, 9 August 2022 diff hist 0 m TLDR:bioisostere Khtang moved page TLDR:Bioisostere to TLDR:bioisostere without leaving a redirect current
- 05:27, 9 August 2022 diff hist 0 TLDR →Current available modules current
- 05:26, 9 August 2022 diff hist 0 TLDR →Bootstrap1
- 05:26, 9 August 2022 diff hist 0 TLDR →Bioisostere
- 05:26, 9 August 2022 diff hist 0 TLDR →Arthorbatch
- 05:26, 9 August 2022 diff hist 0 m TLDR:arthorbatch Khtang moved page TLDR:Arthorbatch to TLDR:arthorbatch without leaving a redirect current
- 06:15, 8 August 2022 diff hist +155 N TLDR:swbatch Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD"
- 06:14, 8 August 2022 diff hist -39 TLDR →SWbatch
- 06:12, 8 August 2022 diff hist +275 N TLDR:newbuild3d Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol..."
- 05:48, 8 August 2022 diff hist -95 TLDR →Newbuild3D
- 05:37, 8 August 2022 diff hist +387 N TLDR:extrema Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha..."
- 05:33, 8 August 2022 diff hist -261 TLDR →Extrema
- 05:32, 8 August 2022 diff hist +170 N TLDR:bootstrap2 Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD"
- 05:31, 8 August 2022 diff hist -27 TLDR →Bootstrap2
- 05:31, 8 August 2022 diff hist -34 TLDR →Bootstrap1
- 05:30, 8 August 2022 diff hist +176 N TLDR:bootstrap1 Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD"
- 05:21, 8 August 2022 diff hist -123 TLDR →Strain
- 05:20, 8 August 2022 diff hist +409 N TLDR:strain Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole..."
- 05:06, 8 August 2022 diff hist -660 TLDR →DUDE-Z
- 05:01, 8 August 2022 diff hist +12 TLDR →TLDR:Bioisostere
- 05:00, 8 August 2022 diff hist +12 TLDR →TLDR:Arthorbatch
- 05:00, 8 August 2022 diff hist -1,121 TLDR →TLDR:Bioisostere
- 04:59, 8 August 2022 diff hist +385 TLDR:bioisostere
- 04:59, 8 August 2022 diff hist -9 TLDR →Bioisostere (formerly Analog)
- 04:59, 8 August 2022 diff hist -117 TLDR →Arthorbatch
- 04:55, 8 August 2022 diff hist +771 N TLDR:dude-z Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm..."
- 04:47, 8 August 2022 diff hist +48 TLDR:bioisostere
- 04:45, 8 August 2022 diff hist +501 N TLDR:bioisostere Created page with "== Purpose == To find analogs of your active compounds that you can use to explore SAR by catalogs around your hits. == Inputs == * a starting molecule in txt file (one at a..."
- 17:53, 5 August 2022 diff hist +289 Nm User talk:Jocastanon Welcome! current
- 17:53, 5 August 2022 diff hist +65 Nm User:Jocastanon Creating user page for new user. current
- 22:01, 4 August 2022 diff hist +101 Dimorphite-DL →Run it current
- 21:57, 4 August 2022 diff hist -41 Dimorphite-DL →For BKS Cluster users
- 21:57, 4 August 2022 diff hist +15 Dimorphite-DL →Installation
- 21:56, 4 August 2022 diff hist +1 Dimorphite-DL →Installation
- 21:55, 4 August 2022 diff hist +1 Dimorphite-DL →Run it