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Discovery Studio

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application that delivers  predictive science to its
required depth.

Life Sciences Modeling & Simulation

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Discovery Studio Overview

Announcing Discovery Studio 3.5

The most complete modeling and simulation solution yet for both small molecules and macromolecules-based drug design.


Built onthe Accelrys Enterprise Platform, Discovery Studio® enables scientists to rapidly automate routine tasks, integrate third-party applications and deploy models out to research colleagues. From project conception, through to candidate selection, Discovery Studio 3.5 delivers the most comprehensive portfolio of scientific technologies that address the modeling challenges faced by research scientists. Together, this uniquely positions Discovery Studio as a truly comprehensive collaborative research solution for both experts and project teams alike.

With Discovery Studio you can:

  • Investigate and test hypotheses in silico prior to costly experimental implementation, thus reducing the time and expense involved in bringing products to market
  • Drive scientific exploration from target identification to lead optimization with a wealth of trusted life science modeling and simulation tools
  • Leverage an open and scalable platform to automate processes, create and deploy custom workflows, and integrate data types, databases, and third-party or in-house tools
  • Enhance personal productivity and boost team collaboration by enabling researchers to share data and make better informed decisions

System Requirements for Discovery Studio

The following is a brief overview of the many new features and enhancements included in the Discovery Studio 3.5 release:

  • New Small Molecules Science
    • New ligand profiling database for drug repurposing or to study side effects
    • New in-situ FBDD lead optimization tools
    • New in-situ FBDD core-hopping tools
    • New MMP-based Activity Cliffs analysis
  • New Biotherapeutics Science
    • New Developability Index calculations to rank protein-protein aggregation
    • New capability to perform pH-dependent mutation energy
  • Ecosystem
    • CHARMm upgraded to version c36b2
    • MODELER upgraded to version 9v10
  • Visualization and Performance
    • Improved toolkit for creating and visualizing receptor-ligand surfaces
    • Improved support for low specification graphics cards
    • Updated free Discovery Studio Visualizer to v3.5
    • Updated free 3D plug-in Discovery Studio ActiveX Control to v3.5

Free! Discovery Studio Visualizer and Discovery Studio ActiveX Control 3.5 now Available

The latest release of our free Visualizer and 3D web plugin are now fully compatible with Discovery Studio 3.5. If you do not need access to the expert-level analysis tools in Discovery Studio, but do need commercial-grade graphics visualization for viewing, sharing, and analyzing protein and modeling data, you can download the free Discovery Studio Visualizer program, which includes ActiveX Control for interactive 3D visualization.

Read the Discovery Studio Visualizer Datasheet

Request Discovery Studio Visualizer

Citations and Acknowledgements

We love to hear about Discovery Studio being used in new and interesting ways. If you want to cite the use of an Accelrys Software Inc. product in a publication, we recommend the following format:

Ref. Accelrys Software Inc., Discovery Studio Modeling Environment, Release 3.5, San Diego: Accelrys Software Inc., 2012.

To learn more about copyrights, Acknowledgements and References, please see our Legal page


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