Docking and molecular dynamics studies toward the binding of new natural phenolic marine inhibitors and aldose reductase.
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Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching.
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Docking and molecular dynamics study on the inhibitory activity of coumarins on aldose reductase.
Wang Z, Ling B, Zhang R, Liu Y, J Phys Chem B, 2008 Aug 14 - link
Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation.
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