Discovery Studio AtlasStore: Protein/Ligand Database Steve Potts, Ph.D., MBA Product Manager Biological Informatics

Overview of Accelrys Worlds leading computational science company – Bioinformatics – Cheminformatics – Modeling/Simulation Accelrys Products on Oracle DS SeqStore – Sequence Data Management DS AtlasStore – Protein/ligand Structure Data Management DS Accord Enterprise – HTS Data Management DS Accord Cartridge – Ligand structure cartridge DS ProjectKM – Secure project management

DS AtlasStore Overview Stores protein structures, sequences, 3D motifs, active sites, binding pockets Stores homology models from 3D annotation pipeline Correctly types ligand structures Stores x-ray data Searchable using mass spec data Search for ligand or protein properties

DS AtlasStore Benefits Central repository for secure storage of structural biology data Link crystallographers with medicinal chemists Link bioinformaticians with structural biologists Version public and private data Runs in DS Modeling environment Classify ligands based on protein targets

Oracle Features Used Today Supports Oracle 9i and 8i Uses XML DB, Oracle Text Utilizes the Accord Data Cartridge Materialized Views Part of the 10g Beta Program Scalability of RAC for mega structure database – 400 GB Database currently, 32 Genomes

Oracle Benefits Security of Oracle Reliability of Oracle Industry standard in life sciences XML and SQL together Integration with other drug discovery domains (Clinical, legal, HR)

Planned Oracle features to be adopted in the future Oracle Data Mining BLAST Cross Platform Transportable Table Spaces Statistics Automated Storage Management (ASM) More XML and Text functionality