Computer Science 663
Algorithms in Structural Biology
This webpage is under construction. In particular, the syllabus,
schedule, and topics pages are not final, but they give an idea.
Topics Covered
- Introduction to Protein Structure and NMR
- Visualization of Proteins
- Visualization of Protein:Drug Interactions
- Protein and NMR Structural Biology
- MBM, SVD, PCA, and RDCs
- Principal Components Analysis, Residual Dipolar Couplings, and their Relationship in NMR Structural Biology
- JIGSAW and NMR
- Peptide Design
- Computational Protein Design
- Nonribosomal Code & K* Algorithms for Ensemble-Based Protein Design
- The Power of Exact Solutions
- NMR Structure Determination Algorithms Using Sparse RDCs
- Looking Under the Hood: How the Algorithms Work, and Outlook for Future Developments
- Proteomic Disease Classification Algorithm
- Protein Flexibility (1): Introduction to Inverse Kinematics & Loop Closure Problem
- Protein Flexibility (2): First and NMA Basics
- Protein Flexibility (3): ROCK and FRODA
- Protein Flexibility (4): Applications of NMA to Protein-Protein and Ligand-Protein Binding
- Generalized Belief Propagation, Free Energy Approximations, and Protein Design
- Distance Geometry: NP-Hard, NP-Hard to Approximate
- Graph Cuts for Energy Minimization and Assignment Problems (1)
- Graph Cuts for Energy Minimization Problems (2)
- Cross-rotation Analysis Algorithms
- Computational Topology and Protein Structure