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Tutorial Details: Docking and Virtual Chemical Screening With Glide

Date: Thursday, April 12, 2007, 01:30 pm - 03:30 pm
Location: Room 405 Walter
Instructor(s): Assistant Professor Yuk Y Sham PhD, Center for Drug Design

Schrödinger, Inc. provides a wide range of computational chemistry and molecular modeling software tools that are used to build, display, manipulate, simulate and calculate molecular properties. One of its applications is called Glide. It is used to provide a reliable means of automatically docking small ligands into the protein active site. In addition, it also has the high throughput virtual screening (HTVS) feature that allows researchers to search through large chemical databases to identify alternative lead compounds in drug design. This tutorial will demonstrate the common graphical user interface and the basic procedure for performing a ligand docking and HTVS using Glide.

Prerequisites: Basic chemical and biological structure concepts