WORKSHOP: Macromolecular 3D visualization and analysis in Protein Explorer

TIME: 3 HOURS

This hands-on computer workshop will enable novices to find published structures for molecules of interest, visualize their three-dimensional structures, and understand the resulting computer images. No previous experience with molecular visualization or modeling is required. QuickViews menus make it easy to highlight features such as backbone traces, disulfide bonds, secondary structure, ligands, and distribution of hydrophobic residues. Context-sensitive help is displayed automatically with each operation. Noncovalent bonds between ligands and receptors, between protein and DNA, etc. can be located easily. The amino acid sequence can be displayed and clicking on residues highlights their positions in the 3D structure. Solvent-accessible surfaces can be displayed. The software is free and works on Windows and Macintoshes. Those familiar with RasMol will find Protein Explorer familiar, yet easier and more powerful.

Protein structure scientists familiar with other visualization software may wish to try out these advanced features, many of which can be done in "one click": Visualizing noncovalent bonds between any two moieties by either of two methods (one by one, or in a contact surface overview); Finding energetically significant cation-pi interactions; Animating functional conformational changes or movements, such as the binding of calcium to an EF-hand; Coloring a 3D protein according to conservation/mutation in a multiple protein sequence alignment (if you already have a multiple protein sequence alignment, bring it in FASTA/PIR format); Methods for presenting results from your protein structure research on the web in Protein Explorer.