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Tutorial Details: Overview of Molecular Dynamic Software packages at MSI

Date: Thursday, January 26, 2006, 01:00 pm - 03:00 pm
Location: 402 Walter
Instructor(s): Assistant Professor Yuk Y Sham PhD, Center for Drug Design

Molecular Dynamics (MD) Simulation is used extensively to simulate the dynamic behavior of molecular and biomolecular systems by a classical mechanical treatment of nuclear motion. There are a variety of MD software packages available at MSI. This tutorial will cover the basic fundamental theory of MD simulation and an overview of some of these software packages.

Prerequisites: General chemistry knowledge