Simulation software aids drug discovery

Accelrys has unveiled version 2.5 of its Discovery Studio modeling and simulation software, which runs on the Pipeline Pilot operating platform.

Software enhancements include updated small molecule modeling, fragment-based design, trans-membrane protein analysis and antibody modeling. So-called discovery guides allow users to combine scientific algorithms and functionality to create a personalized task flow, according to an announcement.

In addition, the company says it has improved Pipeline Pilot integration, allowing users to access scientific components and protocols to extend scientific methods. Such methods can then be deployed within a group via Web Port or Microsoft Sharepoint for collaboration. The software also provides access to the GOLD docking program, licensed by CCDC, allowing GOLD users to benefit from the robust features of Discovery Studio for model preparation and docking analysis.

The Discovery Studio architecture also provides access to products developed by partners in the Accelrys ISV ecosystem, allowing integration of third-party algorithms.

- here's the announcement

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