Information Technology

Articles relating to computational technologies in drug design accepted for publication

Published in Drug Week, February 24th, 2006

Locus Pharmaceuticals, Inc., a computationally-based drug design and development company, announced that articles on three key areas of its technology have been accepted for publication in peer-reviewed journals.

The articles describe Locus' developments relating to ligand protein binding, analysis of protein flexibility and ADMET prediction.

Locus' method for computing the binding energy of protein ligands has been published as "Grand Canonical Monte Carlo Simulation of Ligand-Protein Binding" in the Journal of Chemical Information and Modeling. This free energy calculation is the core of Locus' fragment-based method for de novo drug design...

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Source: Drug Week (2006-02-24)

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