Computational, Molecular Modeling and Simulation

3 Credits

This course is designed to introduce the most basic and key concepts, methods, and tools used in molecular modeling and simulation. This class is a hybrid of lecture and hands-on practice styles, using the lectures and tools in CHARMM-GUI (http://www.charmm-gui.org/lecture). Some topics include the UNIX operating system, text editors, Python programming and Monte Carlo simulation. The understanding of these concepts and algorithms, as well as their applications to well-defined practical examples involving currently important biological problems will be emphasized. Attribute/Distribution: NS