Thursday, November 8th at 11:00am EST. Join us for a 30-minute Webinar: "An Introduction to Virtual Screening with Schrödinger 2012-2 on SBGrid Computing Clusters", presented by Jason Key, Structural Biology Computing Scientist at SBGrid.

Webinar Details: To participate in this event please Join the Webinar; Event password: structure
Please also dial in using our toll number: (US/Canada) 1-650-479-3208 ; Access code: 669 624 534, so you can ask participate and ask questions.

Abstract: Virtual screening is a computational method for surveying immense libraries of chemical structures in order to identify compounds that are most likely to bind to a target molecule of interest. By docking each ligand candidate within a defined protein binding site and scoring the 3-D interaction in silico, libraries can be enriched for structures with desired receptor site complementarity. This approach can greatly reduce the time and expense of screening in the laboratory and is a common strategy in drug discovery. The Schrodinger software suite offers a complete platform to computationally screen biological macromolecules. Licenses to use this software are currently available to SBgrid members for academic use. In this presentation, I will provide a tutorial on how to get started with virtual screening in Schrodinger 2012-2 on SBgrid computing clusters. Preparation of compound databases for virtual screening, receptor preparation, and screening of protein receptors using Schrodinger Glide will be discussed.