1. Alpha Shapes Herbert Edelsbrunner Duke University, Computer Science (Raindrop) Geomagic LEIDEN 2006

2. I.1 Van der Waals diagram I.2 Solvent accessible diagram I.3 Alpha shape I. Molecular Models

12. II.1 Homotopy equivalence II.2 Betti numbers II.3 Incremental algorithm II. Connectivity

23. III.1 Voids III.2 Pockets III. Empty Space

33. IV.1 PIE formula IV.2 Void formula IV.3 Area derivative IV.4 Volume derivative IV. Size

45. V.1 Definition V.2 Deformation V. Molecular Surface

54. VI.1 Skin surfaces VI.2 Coaxal system VI.3 Mixed complex VI.4 Complementarity VI. Shape

64. Collaborators 2d: David Kirkpatrick, Raimund Seidel 1983 3d: Ernst Muecke 1994 Betti numbers: Cecil Delfinado 1995 Pockets and size: Michael Facello, Ping Fu, Jie Liang 1995 Derivatives: Patrice Koehl 2003