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Molecular Discovery has provided software solutions and consultancy to the pharmaceutical industry for over 30 years.

We were pioneers in the field of structure-based drug design through our proprietary GRID software, characterising drugs and macromolecules in terms of their molecular interaction fields. Over time the GRID forcefield has successfully been applied to a large number of pharmaceutical related problems, resulting in the products illustrated below, all of which are based on GRID.

Our software is typically run on Linux and Windows platforms; we also have several components available for integration with 3rd Party Pipelining software.

Pka LogP, logDIsoelectric point Virtual ScreeningStructure-Based DesignLigand-Based DesignPharmacophore ModellingWater PredictionDocking & Scoring SAR & QSAR ADME modelling Hardware IndependentMetID, Phase I & II Site of Metabolism prediction ADMET / DMPK Lead Optimisation Hit/Lead ID MoKa Volsurf+ GRID FLAP Pentacle MetaSite MetaDesign Mass-MetaSite WebMetaBase FLAP Volsurf+