Download Discovery Studio AtlasStore: Protein/Ligand Database

Discovery Studio AtlasStore:
Protein/Ligand Database
Steve Potts, Ph.D., MBA
Product Manager
Biological Informatics
[email protected]
Overview of Accelrys
World’s leading computational science company
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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
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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
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400 GB Database currently, 32 Genomes
Oracle Benefits
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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
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Oracle Data Mining
BLAST
Cross Platform Transportable Table Spaces
Statistics
Automated Storage Management (ASM)
More XML and Text functionality