Volume 87 Issue 21 | p. 40
Issue Date: May 25, 2009

Digital Briefs

New Software and Websites for the Chemical Enterprise
Department: Science & Technology

PlayStation Revs Up Drug Discovery

Toronto-based firm SimBioSys recently launched the newest version of its molecular docking and virtual screening software, eHiTS 2009. This drug discovery tool boasts an improved scoring function trained on thousands of up-to-date Protein Data Bank structures and is tuned for 500 new protein classes. The function, which numerically predicts the interaction between docked molecules, now provides increased correlation between generated scores and experimentally measured binding affinities. To lower the cost and . . .

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Lauren K. Wolf writes Digital Briefs. Information about new or revised electronic products can be sent to d-briefs@acs.org.

Chemical & Engineering News
ISSN 0009-2347
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