Chemical Communications Article

We have just published a paper in Chemical Communications on “Computationally-Guided Optimization of Small-Molecule Inhibitors of the Aurora A Kinase – TPX2 Protein-Protein Interaction“. Working in collaboration with Dr Danny Cole at the University of Newcastle, we used free energy perturbation theory in combination with enhanced sampling to design two new small-molecule inhibitors of the Aurora A kinase – TPX2 protein-protein interaction.

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