Figure_7.tif (2.2 MB)

Comparison of Binding mode.

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posted on 2014-06-04, 14:43 authored by Vasanthanathan Poongavanam, Casper SteinmannCasper Steinmann, Jacob Kongsted

Binding mode of ZINC72194123 (blue) and ZINC03871633 (yellow) is shown in ball and stick model with bound ligand (green). Important residues are highlighted, including magnesium ions (green sphere) and water molecules (cyan sphere).

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Computational biology pharmacology Drug research and development drug design Computer-aided drug design drug discovery HIV drug discovery chemistry computational chemistry medicinal chemistry binding

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