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Tutorial Details: Molecular Modeling with Schrodinger

Date: Thursday, October 16, 2008, 01:00 pm - 03:00 pm
Location: 575 Walter
Instructor(s): Nicholas P. Labello, MSI

The Schrodinger software suite is a full-featured molecular modeling package designed to solve real world problems in pharmaceutical, biotechnology, and materials science research. One major advantage over other computational chemistry packages is that little to no text editing, scripting, or otherwise manual preparation of files is necessary to get started with the suite. This introduction to molecular modeling will focus on developing input and setting up calculations with the front-end GUI Maestro, various molecular mechanics and dynamics calculations, and the technical aspects of docking, quantum mechanics, and QM/MM studies.

Prerequisites: Basic knowledge of UNIX and computational chemistry is useful