User contributions for TBalius
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6 April 2018
- 20:0920:09, 6 April 2018 diff hist +431 Minimize protein-ligand complex with AMBER →Step 2. Prepare ligand charges and force field.
- 00:4700:47, 6 April 2018 diff hist +1 Minimize protein-ligand complex with AMBER →Step 4. Run minimization using the amber program PMEMD.cuda on a GPU machine
- 00:4700:47, 6 April 2018 diff hist +1 Minimize protein-ligand complex with AMBER →Step 4. Run minimization using the amber program PMEMD.cuda on a GPU machine
- 00:4700:47, 6 April 2018 diff hist +27 Minimize protein-ligand complex with AMBER →Step 4. Run minimization using the amber program PMEMD.cuda on a GPU machine
- 00:4000:40, 6 April 2018 diff hist +325 Minimize protein-ligand complex with AMBER →Step 4. Run minimization using the amber program PMEMD.cuda on a GPU machine
2 April 2018
- 17:1917:19, 2 April 2018 diff hist +65 Minimize protein-ligand complex with AMBER No edit summary
- 17:1817:18, 2 April 2018 diff hist −6 Minimize protein-ligand complex with AMBER No edit summary
- 17:1717:17, 2 April 2018 diff hist +81 Minimize protein-ligand complex with AMBER →Step 1. Break up the complex into ligand (small molecule) and receptor.
- 17:0817:08, 2 April 2018 diff hist +5,906 N Minimize protein-ligand complex with AMBER Created page with " Written on 2018/04/02 This tutorial is for Shoichet Lab group members but we hope that it might be useful to the community. Outlined below are five steps to minimize a com..."
- 16:3016:30, 2 April 2018 diff hist +49 DOCK 3.7 →Prepare Receptor
14 February 2018
- 19:2419:24, 14 February 2018 diff hist +193 Enm explorer No edit summary current
2 February 2018
- 16:1616:16, 2 February 2018 diff hist +433 Enm explorer No edit summary
31 January 2018
- 20:1720:17, 31 January 2018 diff hist +50 How to process results from a large-scale docking →Cluster results
- 19:5619:56, 31 January 2018 diff hist +98 Enm explorer No edit summary
- 01:2501:25, 31 January 2018 diff hist +103 How to process results from a large-scale docking →Combine results
- 01:2401:24, 31 January 2018 diff hist +116 How to process results from a large-scale docking →Cluster results
29 November 2017
- 18:5018:50, 29 November 2017 diff hist +351 Rescoring with DOCK 3.7 →how to generate need files
- 18:3618:36, 29 November 2017 diff hist +201 Rescoring with DOCK 3.7 →how to generate need files
- 18:2718:27, 29 November 2017 diff hist +4,212 Rescoring with DOCK 3.7 →how to generate need files
17 November 2017
- 22:5322:53, 17 November 2017 diff hist −1 Ligand preparation - 20170424 →3 ways to build ligands: current