User contributions for Yingyang
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26 February 2021
- 18:4818:48, 26 February 2021 diff hist +232 N FEP+ for GPCR Created page with "2/25/2021 Ying Yang Steps for setting up a FEP prediction for membrane protein * Equilibration of complex structure (with confident binding pose) * Force field builder ..."
- 18:3218:32, 26 February 2021 diff hist +126 DOCK 3.7 No edit summary
22 October 2020
- 04:3004:30, 22 October 2020 diff hist +493 N Calculate RMSD between two sets of molecules (eg, Crystal pose vs. docked pose) Created page with "10/21/2020 Ying Script to calculate RMSD between two sets of molecules (mol2 format), modified from the openeye rmsd.py (https://docs.eyesopen.com/toolkits/python/_downloads/..." current
- 04:2204:22, 22 October 2020 diff hist 0 Other Useful Stuff No edit summary current
- 04:2104:21, 22 October 2020 diff hist +88 Other Useful Stuff No edit summary
6 October 2020
- 05:4505:45, 6 October 2020 diff hist 0 Another getposes.py No edit summary current
- 05:4405:44, 6 October 2020 diff hist +504 Another getposes.py No edit summary
5 August 2020
- 21:5421:54, 5 August 2020 diff hist +65 Interaction Filtering No edit summary
- 21:5421:54, 5 August 2020 diff hist 0 N File:2d html.png No edit summary current
- 21:5221:52, 5 August 2020 diff hist +1 Interaction Filtering No edit summary
- 21:5221:52, 5 August 2020 diff hist +384 Interaction Filtering No edit summary
15 May 2020
- 20:0120:01, 15 May 2020 diff hist −13 Torsion against CSD visualize with Maestro No edit summary current
- 19:5819:58, 15 May 2020 diff hist +595 Torsion against CSD visualize with Maestro No edit summary
- 19:4819:48, 15 May 2020 diff hist 0 N File:Maestro csd pic4.png No edit summary current
- 19:4819:48, 15 May 2020 diff hist 0 N File:Maestro csd pic3.png No edit summary current
- 19:4819:48, 15 May 2020 diff hist 0 N File:Maestro csd pic2.png No edit summary current
- 19:4819:48, 15 May 2020 diff hist 0 N File:Maestro csd pic1.png No edit summary current
- 19:3619:36, 15 May 2020 diff hist +536 N Torsion against CSD visualize with Maestro Created page with "5/15/2020 Ying Besides the automated strain filtering, it's useful to visualize the torsion angle in against CSD. Here's an example of how to do it with Schrodinger tools. ..."
- 17:3517:35, 15 May 2020 diff hist +49 DOCK 3.7 No edit summary
9 May 2020
- 04:4704:47, 9 May 2020 diff hist +5 Another getposes.py No edit summary
- 04:4204:42, 9 May 2020 diff hist +290 Another getposes.py No edit summary
20 April 2020
- 07:0307:03, 20 April 2020 diff hist +22 Another getposes.py No edit summary
- 02:3702:37, 20 April 2020 diff hist +2 Another getposes.py No edit summary
- 02:3702:37, 20 April 2020 diff hist +202 Another getposes.py No edit summary
31 March 2020
- 21:2621:26, 31 March 2020 diff hist +42 Another getposes.py No edit summary
- 21:2421:24, 31 March 2020 diff hist +1,972 N Another getposes.py Created page with "3/25/2020 Ying Poses are needed for Shuo's interaction filter and strain filter, sometimes we need to get poses pre-clustering. Owing to the need, here's another get_poses.py..."
- 21:2321:23, 31 March 2020 diff hist −1 DOCK 3.7 No edit summary
- 21:2221:22, 31 March 2020 diff hist +1 DOCK 3.7 No edit summary
- 21:2221:22, 31 March 2020 diff hist −1 DOCK 3.7 No edit summary
- 21:2121:21, 31 March 2020 diff hist 0 N File:Runtime getposes.png No edit summary current
26 March 2020
- 01:1901:19, 26 March 2020 diff hist +1 Another get poses.py No edit summary current
- 01:1801:18, 26 March 2020 diff hist +437 Bootstrap AUC No edit summary current
- 01:1301:13, 26 March 2020 diff hist +109 Bootstrap AUC No edit summary
- 01:1201:12, 26 March 2020 diff hist 0 N File:Bootstrap out logAUC.png No edit summary current
- 01:1201:12, 26 March 2020 diff hist 0 N File:Bootstrap out AUC.png No edit summary current
- 01:0901:09, 26 March 2020 diff hist +1,978 Bootstrap AUC No edit summary
25 March 2020
- 00:1600:16, 25 March 2020 diff hist +465 Another get poses.py No edit summary
- 00:0300:03, 25 March 2020 diff hist +485 Another get poses.py No edit summary
24 March 2020
- 23:5523:55, 24 March 2020 diff hist +768 N Another get poses.py Created page with "Another get_poses.py script modified on top of getposes_blazing_faster.py from Reed & Trent source /nfs/home/yingyang/.cshrc_opencadd python /nfs/home/yingyang/scripts/get_p..."
- 23:5323:53, 24 March 2020 diff hist +27 DOCK 3.7 No edit summary
25 February 2019
- 23:2023:20, 25 February 2019 diff hist 0 File:Variation AUC logAUC.png Yingyang uploaded a new version of "File:Variation AUC logAUC.png" current
- 23:1823:18, 25 February 2019 diff hist +148 Bootstrap AUC →Plot the change(s) in AUC/logAUC against reference score
- 23:1623:16, 25 February 2019 diff hist 0 File:Fig compare methods.png Yingyang uploaded a new version of "File:Fig compare methods.png" current
- 23:1523:15, 25 February 2019 diff hist +53 Bootstrap AUC →Plot the change(s) in AUC/logAUC against reference score
- 23:1523:15, 25 February 2019 diff hist +19 Bootstrap AUC →Plot the variation of AUC/logAUC
- 23:1423:14, 25 February 2019 diff hist −51 Bootstrap AUC →Plot the variation of AUC/logAUC
- 23:1423:14, 25 February 2019 diff hist 0 N File:Fig compare methods.png No edit summary
- 23:0323:03, 25 February 2019 diff hist 0 N File:Variation AUC logAUC.png No edit summary
- 23:0323:03, 25 February 2019 diff hist +1,021 N Bootstrap AUC Created page with "To test whether the difference in AUC/logAUC between two methods is statistically significant or not, AUC/logAUC of the new developed method(s) against the reference method ca..."
- 22:1722:17, 25 February 2019 diff hist +20 DOCK 3.7 →Analysis
