MOLECULAR MODELLING

Discovery Studio 3.5

9 August 2012

Accelrys

The latest version of Discovery Studio modelling and simulation software has been released by Accelrys. Version 3.5 extends the portfolio of small-molecule ligand design and market-leading biological simulation tools, including a new, validated ligand-profiling database for drug repurposing studies and new science to assess the development potential of putative biologics.

The new ligand-profiling solution uses a spatial aggregation propensity algorithm and Developability Index licensed from the Massachusetts Institute of Technology (MIT) and validated in collaboration with Novartis Pharma AG. Capabilities such as these provide important indicators of whether ligands and proteins will be good candidates for downstream development.

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