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Accelrys Offers Novel, Integrated Predictive Sciences Solutions Enabling Faster, More Cost-effective Innovation for Life Sciences Organizations

Accelrys Discovery Studio delivers new science, accelerating collaborative small molecules and biotherapeutics research with enhanced predictive capabilities across all stages of discovery

LONDON, September 25, 2013 /PRNewswire/ — Accelrys, Inc. (NASDAQ: ACCL), a leading provider of scientific innovation lifecycle management solutions, has announced the availability of an extensive set of advanced predictive sciences applications and services. These integrated capabilities enable drug discovery teams to investigate and evaluate hypotheses about the chemical or biological behavior of molecules of therapeutic interest in silico prior to costly experimentation. Accelrys predictive sciences leverages the open, scientifically aware Accelrys Enterprise Platform to deliver an advanced scientific decision support environment that reduces time and expense, improves quality, enhances collaboration and accelerates innovation in bringing new drugs to market.

“The complexity of today’s science means that many organizations lack the experimental resources to test for every biologically relevant endpoint for all compounds of interest,” said Adel Laoui, Ph.D., MBA, managing director of the Accelrys Life Sciences R&D segment. “On the other hand, the breadth and accuracy of predictive sciences are now mature enough to facilitate resolution of a broad range of R&D challenges using less expensive and more scalable in silico methodologies. This enables scientists to evaluate many more hypotheses more quickly than is possible with experiment alone, enhancing the speed of decision making. By combining a workflow-based approach with new informatics predictive modeling tools and high quality experimental data, Accelrys predictive sciences enables R&D groups to build, publish and consume in silico models in a social, collaborative environment.”

Faced with looming “patent cliffs” and increasing pressure to demonstrate positive health outcomes with reduced operating costs, many life sciences R&D organizations are restructuring into smaller and more agile teams to improve productivity. To remain competitive, research teams are also externalizing many discovery processes and leveraging advanced predictive solutions to accelerate the identification and testing of small molecules or biologics with favorable properties. Drug discovery is a multi-objective optimization process with drug researchers striving to improve all properties or criteria simultaneously. As a result, predictive science methods for modeling multiple properties such as biochemical potency, in vivo pharmacokinetics and formulations are now routinely delivered and shared across all phases of R&D.

To support this paradigm shift in life sciences R&D and align with today’s market trends, the latest 4.0 release of Accelrys Discovery Studio supports scientific exploration from early-stage target identification through lead identification and optimization to preclinical safety testing. Discovery Studio 4.0 features new biotherapeutics science to identify mutation sites for disulfide bridges, enabling molecular biologists and antibody engineers to improve the stability of novel biologics. The latest release also includes enhancements to both scalability and performance in long-duration (nanosecond) simulations and fully re-engineered non-bond interaction analysis, accelerating structure-based drug design in small molecules research.

Taking advantage of the integrated Accelrys Enterprise Platform, medicinal, synthetic and computational chemists, molecular biologists and computational structural biologists can leverage the following Accelrys predictive sciences solutions for improved end-to-end information management and decision support across the enterprise and networked external partners.

To learn more about Accelrys predictive sciences, register for the complimentary webinar to be held on Thursday, October 17, 8-9 a.m. PDT entitled “Major Transformations within the Pharmaceutical Industry and an Overview of Accelrys Predictive Sciences.”

About Accelrys, Inc.
Accelrys, Inc. (NASDAQ: ACCL), a leading provider of scientific innovation lifecycle management solutions, supports industries and organizations that rely on scientific innovation to differentiate themselves. The industry-leading Accelrys Enterprise Platform provides a broad and flexible scientific solution optimized to integrate the diversity of science, experimental processes and information requirements across the research, development, process scale-up and manufacturing phases of product development. By incorporating capabilities in applications for modeling and simulation, enterprise lab management, workflow and automation, and data management and informatics, Accelrys enables scientific innovators to access, organize, analyze and share data in unprecedented ways, ultimately enhancing innovation, improving productivity and compliance, reducing costs and speeding time from lab to market.

Accelrys solutions are used by more than 1,300 companies in the pharmaceutical, biotechnology, energy, chemicals, aerospace, consumer packaged goods and industrial products industries. Headquartered in San Diego, California, USA, Accelrys employs more than 200 full-time PhD scientists. For more information about Accelrys, visit www.accelrys.com.

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Photo Gallery

Accelrys Discovery Studio 4.0: The predicted disulfide bridge with top mobility score correctly matches engineered position reported by Kim et al [Le Q.A.T, Joo J.C., Yoo Y.J., Kim Y.H., Biotech and Bioeng., 2012,  109(4), 867-76] in lipase B [PDB: 1TCA].
Accelrys Discovery Studio 4.0: The predicted disulfide bridge with top mobility score correctly matches engineered position reported by Kim et al [Le Q.A.T, Joo J.C., Yoo Y.J., Kim Y.H., Biotech and Bioeng., 2012, 109(4), 867-76] in lipase B [PDB: 1TCA].
Structure-based Design: 3D pocket views of a novel adenosine inhibitor bound inside the active site of the 70 kDa heat shock protein [PDB: 3FZM].
Structure-based Design: 3D pocket views of a novel adenosine inhibitor bound inside the active site of the 70 kDa heat shock protein [PDB: 3FZM].
Antibody Development: Solvent exposed surface on the fAb domain of an antibody, colored to show the predicted binding site ‘hot-spot’ (red) as calculated by the spatial aggregation propensity algorithm, Aggmap.
Antibody Development: Solvent exposed surface on the fAb domain of an antibody, colored to show the predicted binding site ‘hot-spot’ (red) as calculated by the spatial aggregation propensity algorithm, Aggmap.

Videos

Right-click the link below for ‘SAVE’ options

Leif Pedersen Announces Accelrys Predictive Sciences
Overview: Accelrys Discovery Studio 4.0 – Comprehensive Non-bonded Interactions

Related Links

Find out more: Accelrys’ Predictive Sciences
Learn more about Discovery Studio
Read: Accelrys’ Predictive Sciences Solution Brief
Visit Accelrys.com to learn more
Visit Accelrys’ blog

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