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Informatics

Software consortium takes on force field models

by Rick Mullin
December 1, 2018 | APPEARED IN VOLUME 96, ISSUE 48

 

The Molecular Software Sciences Institute, an industry-academia computer-modeling consortium, has launched an effort to design models for drug discovery. The Open Force Field Consortium, spearheaded by the University of California Irvine, Bayer, and GlaxoSmithKline, seeks to improve the accuracy of energy models, or force fields, used in computer-aided drug design. The group seeks models that will allow users to build molecular mechanics force fields from their own physical property and quantum chemical databases.

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