Macro-Molecular Modeling

Catalog description

In this course, we will study how to model small chemical and biochemical systems. Molecular modeling of biological molecules, including proteins and their respective endogenous ligands, agonists and antagonists. Protein modeling includes the study of primary, secondary, tertiary, and quaternary structures. Ligand interactions are discovered through docking and pharmacophore modeling. Protein-ligand interactions are visualized in the 3-D space. Other biomolecules such as lipids and carbohydrates are also modeled and studied. The common feature of molecular modeling methods is the atomistic level description of the molecular systems. We will perform visualizations and simulations of these systems. We will also study how to output the data and graphics for reports and journal articles.