Course Offerings: Biochemistry

This course offers an introduction to molecular modeling and molecular dynamics (MD) simulation methods, with a focus on applications in drug discovery. Students will receive hands-on tutorials and training in using modeling and simulation software to explore a variety of research problems. Key topics include conformational analysis, molecular mechanics, and molecular dynamics; computational studies of drug-receptor interactions, docking of small organic molecules to biological receptors, ...

TBA ...

This course is a compact overview of theory and practice in the use of NMR-derived restraints for structure determination using molecular dynamics simulations. Due to the limited scope, it is a 6-week, 0.25-credit reading course. Among the topics discussed are: Theory and Types of NMR-derived structure parameters Strategies for integrating NMR data in MD calculations Types of Software used to perform the simulations Planning and setup of the MD ...