Discovery Studio 2.0. Paul Flook Senior Director, Life Sciences R&D

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1 Discovery Studio 2.0 Paul Flook Senior Director, Life Sciences R&D Dial In (for audio conferencing) or Toll: Participant code: The webinars will begin at 07:00 and 10:00 am PST

2 Outline The Discovery Studio Visualizer Discovery Studio Science Discovery Studio and Pipeline Pilot Perl Scripting Deployment Options

3 Product Roadmap Evolution of Discovery Studio 6 Months 6 Months 8 Months DS 1.5 DS 1.6 DS 1.7 DS 2.0 Jan 2006 Jul 2006 Jan 2007 Sep 2007

4 Discovery Studio DS Visualizer Pipeline Pilot Protocol CHARMm Protocol MODELER Protocol BLAST Scientific Servers Protocol Protocol LigandFit Ludi

5 The Discovery Studio Visualizer

6 Integrated Single Work Environment Existing Accelrys Products Discovery Studio Functionality from Catalyst, QUANTA, Cerius 2, Insight II in one user interface

7 The DS Visualizer Client is Comprehensive and Customizable The Visualizer can be configured to be as simple or as complex as desired. Simply resize or rearrange windows to get desired view. Explorers View either Files Protocols or Tools without exiting application. Data Viewer Resize or maximize window as needed to view data Access Help and view job status without leaving application. Protocol Launcher Input parameters and modify interactively

8 Discovery Studio Science

9 Scientific Coverage in Discovery Studio 2.0 ADMET Electrostatics Library Analysis Library Design Pharmacophore Protein Modeling QSAR Receptor-Ligand Interactions Sequence Analysis Simulation

10 Major New Science in Discovery Studio 2.0 A range of new methods have been implemented in Discovery Studio 2.0 and can be accessed as protocols. Among the highlights are: Fast accurate pk prediction and protonation state determination. Flexible protein-ligand docking method. Pharmacophore based fragment based design methods. New methods for QSAR and small molecule library analysis. Antibody modeling tools. Protein-protein docking and scoring tools.

11 Pipeline Pilot Integration

12 Pipeline Pilot Design custom workflows Automate jobs Create custom programs to manipulate data View output as desired

13 Pipeline Pilot Offers Additional Client Choices Pipeline Pilot

14 Perl Scripting

15 Perl Scripting Several of our existing products had scripting capabilities (e.g. tcl in Cerius 2, bcl in Insight II) These scripting systems have some limitations Products did not share common scripting languages no interoperability Tcl and bcl are not as powerful as more modern languages Based on customer surveys Perl was selected as the common scripting language going forward had most universal appeal and compatibility with existing user systems Perl is also a supported scripting language for Materials Studio and Pipeline Pilot

16 Deployment

17 DS Visualizer Product Suite Free DS Visualizer Client DS Visualizer DS Visualizer Active X Control Expert users can share results with users who have access to free DS Visualizer or Active X control.

18 How is Discovery Studio Different? Decades of cutting-edge science continually refined and updated Multiple scientific tools integrated into a single graphical interface Scalability: Discovery Studio can easily be installed in different configurations Standalone workstation Lets individual modelers locally install applications and work on their own computer Enterprise wide client-server environment Lets workgroups share protocols and resources Workstation Workstation Workstation Client Client Client Server

19 Summary Discovery Studio is the most modern and comprehensive modeling platform available to researchers in life sciences. DS 2.0 introduces unprecedented levels of customizability and extensibility through its Pipeline Pilot integration and Perl Scripting framework. DS 2.0 has more new science than any previous release including: Flexible docking De Novo Fragment Based Design Ligand Profiler pk prediction for proteins Antibody modeling Protein-protein docking

20 US and European Science Forums Come see Discovery Studio in action at the US and European Science Forums: Paris, France 18 October Boston, MA 23 October Princeton, NJ 25 October San Diego, CA 30 October Heidelberg, Ger 31 October Cambridge, UK 13 November San Francisco, CA 15 November Agenda, Registration details, etc can be found at: