Schrödinger Workshop: Compound Library Preparation and Ligand-based Virtual Screening with Schrödinger Tools


Date and Time 
January 14, 2019
2:00pm to 6:00pm
Robin Li and Melissa Ma Science Library, Training Room (Room 402) at 376 Lomita Drive, Sapp Center for Science Teaching and Learning

Registration is required and is limited to current students, postdocs, faculty, and staff at Stanford.  Please use your email address when registering. Click on More Info to register for this event.

Event Sponsor 
Stanford Libraries and Schrödinger

This half-day workshop will cover two interrelated tool sets in computer-aided drug design that rely on the use of chemical descriptors to shape and screen compound libraries. The first part of the workshop will cover compound library design and preparation for virtual screening. During the session we will discusses the selection and enumeration of virtual compound libraries followed by the shaping and preparation of those libraries for virtual screening. Hands on tutorials with Schrödinger’s enumeration and filtering tools will be provided. The second part of the workshop will be an introduction to pharmacophore based virtual screening with Schrödinger’s Phase. A short introduction to Maestro will precede the workshop.