Accelrys, Inc., San Diego, Calif., announced the release of Discovery Studio 2.0, a modeling and simulation software environment for drug discovery. The new release features an integrated work environment for life science researchers allowing them to go from project conception to lead optimization using a diverse set of software applications in a single environment. Because it is built upon SciTegic Pipeline Pilot, Accelrys' scientific operating platform, Discovery Studio 2.0 is an extensible virtual discovery environment that lets researchers integrate any tool they need to create solutions that are uniquely tailored to fit their research process.
Discovery Studio 2.0 provides significant new science in the areas of rational flexible docking, activity profiling, and fragment-based design. The new fragment-based design functionality provides the opportunity to generate novel lead compounds directly from pharmacophore models and create custom pharmacophore features through an intuitive graphical interface. In addition, Discovery Studio 2.0 includes a ligand profiler that allows researchers to screen ligands against hundreds of pharmacophore models to understand potential side effects or identify targets for co-development
In the area of rational flexible docking, Discovery Studio 2.0 includes a powerful new method for docking small molecules to a receptor in which the flexibility of both the small molecules and receptor side-chains in the binding site are taken into account. This realistic approach to flexible docking is based on the well-established CHARMm engine and force field, providing a highly accurate and reliable method unique to Discovery Studio 2.0.
"Discovery Studio 2.0 represents a significant milestone in the evolution of Accelrys' life science modeling and simulation software," said Mark Emkjer, president and chief executive officer of Accelrys. "We have migrated our many legacy life science products into an integrated, easy-to-use environment that lets customers customize their workflows to suit their specific needs. Customers have been very impressed with the breadth of new science, ease of use and functionality offered in this release."
Release Date: October 12, 2007
Source: Accelrys, Inc.
