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

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Presentation transcript:

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

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

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

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

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

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