User contributions for Yingyang

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