CHEM 644 - Molecular Modeling

[3]

Survey of theoretical methods for simulation of biopolymer conformation. Force fields, energy maps, energy minimization and molecular dynamics simulation. Influence of solvents. Applications to proteins, nucleic acids, etc. Laboratory section will emphasize practical calculations on biopolymers and use of databases of structural biochemistry.
Prerequisite: Prerequisite: CHEM 437 or equivalent or consent of the instructor.