Accelrys, Inc., a leading provider of scientific business intelligence software and services, released Accelrys Discovery Studio 2.5.5, 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 pipelining platform, features new algorithmic developments in the protein modeling 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.
The integration of GOLD with Accelrys Discovery Studio creates a powerful synergy between CCDC and Accelrys’ well established pedigree of validated modeling methods in Discovery Studio. The strong relationship with CCDC exemplifies Accelrys’ strategy in building an ecosystem of partners that are using Accelrys Pipeline Pilot to create solutions that are uniquely tailored to fit their specific research requirements.
Dr. Ramesh Sistla, principal scientist and head of molecular modeling and protein crystallography, Aurigene Discovery Technologies Ltd, commented, “Our choice of GOLD was based on its excellent reviews, great performance in our discovery programs during evaluation, customizable scoring function, and friendly licensing terms. We selected Accelrys Discovery Studio because it offers tight integration with GOLD as well as offering a state of the art application for ligand based drug design, homology modeling and protein crystallography – all within one slick and customizable interface.”
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
“I’m delighted to be working with Accelrys, with whom the CCDC has a long history of collaboration,” said Dr. Colin Groom, executive director of the CCDC. “The widespread use of Accelrys Pipeline Pilot, particularly in the pharmaceutical and biotech industries, makes Accelrys a natural partner for us.”