Thursday, March 28th at 11:00am EST -- Please join us for a 30-minute webinar to get "A basic primer for docking and similarity searching against the ICCB-Longwood database on the SBGrid Goldfinger cluster" presented by Paul Sanschagrin, Sr. Research Systems Administrator at SBGrid.
Paul Sanschagrin
Sr. Research Systems Administrator
SBGrid
For more information on the applications that support this tool, visit ICCB-Longwood, and the Schrodinger Glide and Canvas pages.
Webinar Details: To watch the event, type questions via the webex interface, and listen using your computer speaker, follow this link to Join the Webinar; Event password: structure
If you would like to participate verbally during the Q&A session, or listen through your telephone, where the sound quality may be better, you will also need to dial in using a toll number:
US/Canada - 1-650-479-3208 ; Access code: 669 366 006
Outside US/Canada, please see the list of global call-in numbers
Host: Piotr Sliz
Abstract:
We have used LigPrep to prepare the Harvard Medical School's ICCB-Longwood screening facility's database of roughly 300,000 compounds. This set can be used when submitting jobs on the SBGrid cluster via the command line. In addition to the docking set, we have also generated MOLPRINT 2D fingerprints with Schrodinger's Canvas tool for cheminformatic analysis of these datasets.