1. VISUALIZATION IN BIOLOGY Rama Viswanathan Professor of Chemistry and Computer Science (At Beloit College since 1983)

2. CHEMISTRY: Structure  Function BIOLOGY: Structure  Function  Sequence  Cell

3. CACHE (FUJITSU) COMPUTATIONAL CHEMISTRY PACKAGE (a)Molecule Structure Editor (b)3-D Visualization (c)“Computation” of best/equilibrium structures (d)Applications in Biology

4. Mycobacterium tubercolosis nucleoside phosphorylase (TB-PNP) COMPLEXED with transition state analague Immucillin-H (ImmH) and phosphate Q) Why study? A) Rational drug design  Selective Inhibitor

5. Import and view structure from PDB “Clean up” Analyze protein-ligand interactions Import,modify, screen potential ligands “Dock” ligands into the protein active site Structure-Activity analysis

6. GRAPHICAL VISUALIZATION IN SYSTEMS BIOLOGY Metabolic and Regulatory Pathways CONNECTIVITY EXCEL FRONT END to sophisticated software for graphical layout: TOM SAWYER