Q-MOL VLS was successfully used to discover allosteric inhibitors of matrix metalloproteinase MT1-MMP hemopexin domain. Only 19 ligands were screened in vitro and in cell-based assay to identify a small molecule inhibiting tumor growth in an animal model.
Q-MOL protein-ligand docking technology was successfully employed to identify a novel class of allosteric inhibitors of viral two-component processing proteases from West Nile and Dengue viruses. Paper reprint here.
NEW! Cloud-based computational web services are available at q-mol.org
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