User contributions for Chasemwebb
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9 March 2021
- 07:1607:16, 9 March 2021 diff hist −91 FEP+ for GPCR No edit summary
- 03:1503:15, 9 March 2021 diff hist +429 FEP+ for GPCR No edit summary
- 03:0903:09, 9 March 2021 diff hist +505 FEP+ for GPCR No edit summary
- 03:0103:01, 9 March 2021 diff hist +1 FEP+ for GPCR No edit summary
- 03:0003:00, 9 March 2021 diff hist +772 FEP+ for GPCR No edit summary
- 02:5302:53, 9 March 2021 diff hist +1 FEP+ for GPCR No edit summary
- 02:5202:52, 9 March 2021 diff hist +41 FEP+ for GPCR No edit summary
- 02:5002:50, 9 March 2021 diff hist +623 FEP+ for GPCR No edit summary
- 02:3502:35, 9 March 2021 diff hist +107 FEP+ for GPCR No edit summary
- 02:3302:33, 9 March 2021 diff hist +7 FEP+ for GPCR No edit summary
- 02:2902:29, 9 March 2021 diff hist +459 FEP+ for GPCR No edit summary
21 May 2019
- 23:1623:16, 21 May 2019 diff hist +125 Analyze ligand geometries using the Cambridge Structural Database (CSD) No edit summary current
- 22:1822:18, 21 May 2019 diff hist +115 Analyze ligand geometries using the Cambridge Structural Database (CSD) No edit summary
- 21:5321:53, 21 May 2019 diff hist +424 Analyze ligand geometries using the Cambridge Structural Database (CSD) No edit summary
- 21:3221:32, 21 May 2019 diff hist +422 N Analyze ligand geometries using the Cambridge Structural Database (CSD) Created page with "Often, it is useful to determine if a torsion or conformer is not energetically favourable. This can be accomplished from an ab initio QM calculation but in the Shoichet Lab, ..."
- 21:2921:29, 21 May 2019 diff hist +79 Other Useful Stuff No edit summary
1 October 2018
- 23:3123:31, 1 October 2018 diff hist +702 Filtering ligands for novelty No edit summary
- 22:1422:14, 1 October 2018 diff hist +1,118 Filtering ligands for novelty No edit summary
- 21:5621:56, 1 October 2018 diff hist +404 Filtering ligands for novelty No edit summary
- 21:3621:36, 1 October 2018 diff hist 0 File:Filter ligands image1.png Chasemwebb uploaded a new version of "File:Filter ligands image1.png" current
- 21:3621:36, 1 October 2018 diff hist +147 Filtering ligands for novelty No edit summary
- 21:3121:31, 1 October 2018 diff hist +4 Filtering ligands for novelty No edit summary
- 21:3021:30, 1 October 2018 diff hist +81 N File:Filter ligands image1.png Navigating ZINC15 by gene name. Use the UNIPROT geneID to find a specific target.
- 21:2921:29, 1 October 2018 diff hist +21 Filtering ligands for novelty No edit summary
- 21:2821:28, 1 October 2018 diff hist +73 Filtering ligands for novelty No edit summary
- 21:2221:22, 1 October 2018 diff hist +480 N Filtering ligands for novelty Created page with "Written by Chase Webb 09-01-2018 After a large scale docking campaign, it is important to remove prospective ligands that are too similar to compounds that are already known ..."
- 21:1721:17, 1 October 2018 diff hist +36 DOCK 3.7 No edit summary
21 June 2018
- 16:0816:08, 21 June 2018 diff hist 0 m Sample Additional Ring Puckers No edit summary
- 16:0716:07, 21 June 2018 diff hist +4 m Sample Additional Ring Puckers No edit summary
15 May 2018
- 23:3823:38, 15 May 2018 diff hist −242 How to do parameter scanning updated paths to scripts
- 23:3223:32, 15 May 2018 diff hist +153 How to do parameter scanning updated paths to scripts