We have developed a platform - FORECASTER - that includes our unique and highly accurate programs for drug discovery and process chemistry.
A docking based virtual-screening tool for the prediction of binding affinities and poses. By considering a more accurate protein model by including protein and water flexiblity, FITTED 3.0 can extract true active compounds while reducing the amount of false positives and negatives.
A program for the prediction of the sites of metabolism (SOM) of drugs in CYP P450 proteins based on docking and transition states.
The software is available for distribution through the Molecular Forecaster website.