MOLECULAR MODELLING

Accelrys Draw 4.0

13 October 2010

Accelrys

Accelrys has release Accelrys Draw 4.0, the latest version of its software enabling scientists to draw, edit, compare, and explore complex biological sequences along with chemical structures and reactions (previously Symyx Draw). The latest version improves intellectual property management and operational efficiency in chemical and biological research environments.

The software allows scientists to draw chemically significant, modified peptides and bioconjugates such as siRNAs that contain bases, peptides, and novel linkers. According to the company, customers now have a unified registration system for molecules of any size, biologics and formulations - and this unified system greatly reduces the complexity of end-to-end data aggregation.

In combination with the Accelrys Direct data cartridge and supporting the Accelrys Biological Registration system, Accelrys Draw 4.0 offers scientists unique capabilities for managing complex biological entities including the ability to: import sequence files from the Universal Protein (UniProt) resource for viewing, editing, and interpretation; mutate and modify residues using standard and custom libraries of modifications; add custom residues and linkers, PEGylation, and natural and unnatural lactone and lactam formations; and protect IP by registering modified sequences in a corporate database. Duplicate checking, exact matching, molecular weight calculation, and substructure searching are all available with these structures.

Accelrys Draw 4.0 and the recently released Accelrys Direct 7.0 data cartridge (previously Symyx Direct) both support a new, compact, and scalable hybrid representation that combines the best features of bioinformatics and cheminformatics notations.

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