1 article(s) from Leelananda, Sumudu P
Schematic representation of a computer-aided drug discovery (CADD) pipeline. CADD methods are broad...
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FDA approved drugs Saquinavir and Amprenavir for the treatment of HIV infections. (a) The structure...
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(a) The crystal structure showing the binding of Dorzolamide (orange) to carbonic anhydrase II (pur...
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The best ligand binding site identified by SiteHound in HIV-1 protease. The ligand binding pocket i...
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Binding mode prediction. The known inhibitor Dorzolamide is docked into Carbonic anhydrase II cryst...
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The molecular structure of Raltegravir. Raltegravir is an FDA approved drug used in the treatment o...
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An example alchemical thermodynamic cycle for a protein–ligand binding free energy calculation. The...
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Schematic diagram showing the steps involved in QSAR. Known drug molecule activity and descriptor d...
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A few drugs discovered with the help of ligand-based drug discovery tools. (a) Zolmitriptan: used a...
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Beilstein J. Org. Chem. 2016, 12, 2694–2718, doi:10.3762/bjoc.12.267
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