CHEM-425

An introductory survey of theories/simulations of proteins will be covered in this course. Topics will include molecular mechanics, molecular dynamics, de novo protein design, integrated quantum and molecular mechanics, and docking small molecules onto proteins for pharmaceutic drug design. This course will attempt to cultivate computational skills necessary to tackle current scientific problems at the interface of chemistry and biology with an emphasis on graphical visualization and data analysis. A combination of lecture and hands-on tutorials will be offered during the class, which are expected to improve the students' ability to generate biochemical models essential for understanding the structure and functions of proteins. Prerequisite: Chemistry 246. Co-requisite: BBMB 325.