CHEMINFORMATICS

Discovery Studio 2.5.5

30 March 2010

Accelrys

Accelrys has released Discovery Studio 2.5.5, claimed by the company to be the most advanced computational chemistry and biology software application for drug discovery available today. This release, powered by Accelrys Pipeline Pilot (the underlying scientific business intelligence and data pipe-lining platform), features new algorithmic developments in the protein modelling area, access to the latest version of the popular Gold docking program (licensed by CCDC), and enhanced usability and performance to meet the demands and challenges of modern drug discovery projects.

New and innovative scientific protocols include a 3D QSAR method and a protocol for calculating residue electrostatic energy (for predicting protein stability and thermostability). Additional enhancements include two new user interface 'discovery guides', and 64-bit server compatibility that significantly improves the performance of processor-heavy calculations.

While Gold provides an in-silico tool for accurately screening compounds, the Accelrys Discovery Studio application completes the solution by providing accurate and sophisticated pre- and post-docking capabilities, such as protein preparation, ligand preparation and advanced analytics.

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