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ProShape
Understanding the Shapes of Protein Structures
Patrice Koehl, Michael Levitt (Stanford)
Herbert Edelsbrunner (Duke)
ProShape: the projects
http://biogeometry.duke.edu/software/proshape
• Research
– Understanding protein stability:
• Generalized Born models for electrostatics
• Implicit solvent models: energy functions based on surface area or volume
• Database-derived potentials based on protein geometry
• Software
– New 3D regular triangulation code:
Tetrafor
– Computing surface, volume of a protein, and their derivatives: ProGeom
– Finding pockets in proteins:
Pocket
• Education
– Tutorial on Delaunay, Alpha-Shape and Pockets
– A biocomputing Notebook