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Modelling receptor interactions is of significant interest to the scientific community, with many computational tools available. However, current tools are designed for the prediction of on-target effects and are widely used in the pharmaceutical industry, where compounds are routinely screened for binding affinity to only a single receptor of interest.
This was a poster which was presented at the 2nd Annual Drug Discovery USA Congress, 29-30 October 2015, Boston, USA by Will Krawszik, Maja Aleksic, Paul Russell and Jonathan G.L. Mullins from Moleculomics