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Optimizing the Binding of Fullerene Inhibitors of the HIV-1 Protease through Predicted Increases in Hydrophobic Desolvation‖

✍ Scribed by Friedman, Simon H.; Ganapathi, Padma S.; Rubin, Yves; Kenyon, George L.


Book ID
111910499
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
102 KB
Volume
41
Category
Article
ISSN
0022-2623

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## Abstract We have developed a simple approach for the evaluation of the free energies of inhibitor binding to the protease of the human immunodeficiency virus (HIV‐1 PR). Our algorithm is based on the observation that most groups that line the binding pockets of this enzyme are hydrophobic in nat