Founded in 1984 by Peter Goodford, its aim was to provide the GRID software to scientists working in the field of Drug Design, and enabled one of the first examples of rational drug design with the discovery of Zanamivir in 1989. In combination with statistical methods such as GOLPE, GRID molecular interaction fields can also be used to perform 3D-QSAR.
In the last decade, the GRID forcefield has been applied to other areas of Drug Discovery, including virtual screening, scaffold-hopping, ADME and pharmacokinetic modelling, optimisation of metabolic stability and metabolite prediction, as well as pKa and tautomer modelling.
Molecular Discovery manages a Cytochrome P450 Consortium aimed at generating a large set of homogeneous experimental data for human metabolism, allowing the development of predictive in silico models.
Other articles related to "molecular discovery, molecular":
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