User contributions for TBalius
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28 March 2020
- 23:3723:37, 28 March 2020 diff hist +2,701 N Prepare a receptor with a cofactor for docking Created page with " This page is written by Trent E. Balius (FNLCR) on March 28, 2020. This is for cases where the cofactor does not already have cofactors. For the receptor, I use Chimera'..." current
- 23:3423:34, 28 March 2020 diff hist +53 DOCK 3.7 →Start here
24 March 2020
- 10:1010:10, 24 March 2020 diff hist +126 Useful chimera commands No edit summary current
- 10:0610:06, 24 March 2020 diff hist +579 Useful chimera commands No edit summary
26 August 2019
- 13:2913:29, 26 August 2019 diff hist 0 Minimize protein-covalent ligand complex with AMBER No edit summary current
25 March 2019
6 February 2019
- 18:5118:51, 6 February 2019 diff hist +62 Calculate volume of the binding site and molecules No edit summary current
- 18:5018:50, 6 February 2019 diff hist +109 N PDB surface points for figures Created page with " Related content: *Using_thin_spheres_in_DOCK3.7 *Calculate_volume_of_the_binding_site_and_molecules" current
- 18:4918:49, 6 February 2019 diff hist +42 Other Useful Stuff No edit summary
28 January 2019
- 20:0120:01, 28 January 2019 diff hist +15 How to do parameter scanning No edit summary
26 January 2019
- 18:4118:41, 26 January 2019 diff hist +36 DOCK 3.7 →Prepare Receptor
24 January 2019
- 01:2901:29, 24 January 2019 diff hist +87 Calculate volume of the binding site and molecules →Calculating the volume of a binding site.
3 January 2019
- 19:5519:55, 3 January 2019 diff hist +3 Minimize protein-covalent ligand complex with AMBER No edit summary
- 19:4719:47, 3 January 2019 diff hist 0 Minimize protein-covalent ligand complex with AMBER No edit summary
17 December 2018
- 21:3221:32, 17 December 2018 diff hist 0 File:2018 12 coval1.png TBalius uploaded a new version of "File:2018 12 coval1.png" current
- 21:2421:24, 17 December 2018 diff hist 0 File:2018 12 coval1.png TBalius uploaded a new version of "File:2018 12 coval1.png"
- 21:1621:16, 17 December 2018 diff hist 0 File:2018 12 coval1.png TBalius uploaded a new version of "File:2018 12 coval1.png"
- 20:1720:17, 17 December 2018 diff hist 0 N File:2018 12 coval1.png No edit summary
- 19:2319:23, 17 December 2018 diff hist +270 Minimize protein-covalent ligand complex with AMBER No edit summary
- 19:1419:14, 17 December 2018 diff hist +1,302 Minimize protein-covalent ligand complex with AMBER No edit summary
- 19:1019:10, 17 December 2018 diff hist +1,278 Minimize protein-covalent ligand complex with AMBER No edit summary
- 19:0719:07, 17 December 2018 diff hist +928 Minimize protein-covalent ligand complex with AMBER No edit summary
- 19:0119:01, 17 December 2018 diff hist +8,601 Minimize protein-covalent ligand complex with AMBER No edit summary
- 17:5817:58, 17 December 2018 diff hist +76 Minimize protein-covalent ligand complex with AMBER No edit summary
- 17:5517:55, 17 December 2018 diff hist +7,998 N Minimize protein-covalent ligand complex with AMBER Created page with " This is for ligands that modify a specific residue. (1) Make a directory: mkdir coval_min cd coval_min/ (2) Download pdb file from the web: wget https://files.rcsb...."
- 17:1917:19, 17 December 2018 diff hist +58 DOCK 3.7 →Prepare Receptor
15 December 2018
- 01:3401:34, 15 December 2018 diff hist +143 Minimize protein-ligand complex with AMBER →Step 4. Run minimization using the amber program PMEMD.cuda on a GPU machine current
6 December 2018
- 21:5021:50, 6 December 2018 diff hist −4 How to cite →DOCK 6 current
- 21:4921:49, 6 December 2018 diff hist +279 How to cite No edit summary