Shape-based Retrieval of Complementary 3D Surfaces from a Protein Database 1995

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  • Author:  by Schlo? Dagstuhl  Prof Dr  Hans-peter Kriegel  Thomas Seidl  Thomas Seidl  Thomas Seidl  Thomas Schmidt  Dr. Martin Ester  Xiaowei Xu  

  • Abstract:  Local Shape Index [Koe 90] I A I PDB ( , ) (1) Filter Step (2) Refinement Steps Thomas Seidl: Database Support for Protein Docking Dagstuhl `95 -- 5 B I O P R O Objects + Complexity Proteins: complex 3D objects Molecular Surfaces with different representations: . Connolly subdivision . triangulated surfaces . dotted surfaces ---> object oriented database schema (ObjectStore) ---> TriEdge data structure for molecular surfaces cf. [Seidl & Kriegel 95a], [Seidl & Kriegel 95b] + High Data Volume Brookhaven PDB: ~ 3,000 proteins our OODB: ~ 1MB per protein ---> storage space ~ 3 GB (overall) primitive segmentation: ~2,000 points per protein ---> too many possible docking constellations: 3,000 proteins x 2,000 x 2,000 = 1.210 10 Thomas Seidl: Database Support for Protein Docking

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