(BIOC 237) Introductory Molecular Modeling and Simulation

3 Credits

Key concepts, methods, and tools used in molecular modeling and simulation. A hybrid lecture/hands-on practice course using the lectures and tools in CHARMM-GUI (http://www.charmm-gui.org/lecture). Topics include (but not limited to) UNIX operating system, text editors, Python programming, scientific programming using Python, PDB (Protein Data Bank), molecular mechanics, minimization, molecular dynamics, 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. Prerequisites: CHM 030 or CHM 040 Attribute/Distribution: NS