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Tutorial Details: Molecular Docking

Date: Thursday, October 30, 2008, 01:00 pm - 03:00 pm
Location: 575 Walter
Instructor(s): Nicholas P. Labello, MSI

This tutorial will describe the history, evolution, and current state of molecular docking. Conformation generation and scoring will be discussed along with strengths and weaknesses of various methods. Emphasis is placed on the problems addressed with several docking algorithms and what questions can reasonably be approached with a molecular docking study.

Note: This is not a workshop that focuses on a specific program or the technical aspects of running calculations.

Prerequisites: A basic knowledge of chemistry is required