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