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Automatic Creation and Validation of Pharmacophores Derived from Receptor-Ligand Complexes

A pharmacophore is a model which represents the key physico-chemical interactions, between a receptor target and ligand, that mediate biological activity. In DS 3.0 users can automatically create a series of pharmacophore models representing a receptor-ligand complex, and have these validated with known active and inactive compounds to determine the best pharmacophore for hit/lead identification.

Tien Luu - Lead Scientist, Accelrys
Adrian Stevens - Sr. Product Marketing Manager, Accelrys

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