- Home
- Background
- History
- Curriculum
- Admissions
- Training Faculty
- Students
- Journal Club
- Seminar Series
- Committees
- Alternative Programs
|
Curriculum - Core Course - Computational Structural Biology
This core
course was offered jointly by Pitt and CMU for the first time in the
2005-2006 academic year. It is taught in the Spring semester.
Topics covered include:
- applying computational and statistical methods to the analysis of DNA and protein structures
- representing protein, DNA and RNA structure
- homology modeling and protein structure prediction
- theoretical description of basic interactions, along with computational methods to estimate them
- statistical mechanical theory of molecules
- molecular dynamics and other sampling methods
- modeling protein flexibility, from side chains to loops to slow modes
- reaction paths and basics of path sampling
- protein-protein and protein-small molecule docking
- supramolecular assembly
- introduction to Quantitative Structure Activity Relationship (QSAR) in drug design
|
