Advanced Survey of Molecular Modeling Methods

Catalog description

This survey course emphasizes the applications of molecular modeling theory and simulations in chemistry and biochemistry. The course will present to students a broad and in-depth knowledge of different modeling concepts and methodologies, and provide students opportunities to apply modern computational software to investigate molecular structures, chemical reactions, and biomolecular processes such as enzyme catalysis and protein conformational changes, etc. The topics will include quantum chemistry calculations, molecular mechanics, molecular dynamics simulations, in silico drug design, etc. This course is ideal for Chemistry, Biochemistry, Bioinformatics, and Pharmaceutical Science students.