Figure_4.tif (1.64 MB)

Binding mode of HIQ20 at RNH active site.

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posted on 2014-06-04, 03:50 authored by Vasanthanathan Poongavanam, Casper SteinmannCasper Steinmann, Jacob Kongsted

Binding pose of HIQ20 at the RNase H catalytic site with important residues including water molecules (cyan sphere) and magnesium ions (green sphere). Energy contribution due to each residue is shown in kcal/mol based on the FMO calculation.

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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 hiq20 rnh

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