Prerequisites: graduate standing in Chemistry or consent of instructor

Description: Focuses on molecular recognition and systems-level simula- tions, addressing theory and applications. Includes statistical mechanics (as applied to the prediction of equilibrium and nonequilibrium properties of chemical and biological systems), drug design and discovery, and cheminformatics. Utilizes numerical analysis, mo- lecular dynamics and Brownian dynamics simulations, docking and scoring programs, and chemical data- base tools. Students who present a seminar receive a letter grade; other students receive a Satisfactory (S) or No Credit (NC) grade. Course is repeatable.