Article
Rational design of inhibitors for drug-resistant HIV-1 aspartic protease mutants.
Drug design and discovery - 1 Oct 1998
Frecer V, Miertus S, Tossi A, Romeo D
Abstract excerpt
This report describes a method for the assessment of inhibitor binding affinities to wild type HIV-1 aspartic protease and to its drug-resistant mutant forms. We have elaborated a refined method for molecular modeling of the 3D structures of mutant enzymes and enzyme-inhibitor complexes based on the crystal structure of the wild type form, which employs a full thermodynamic cycle. Model complexes of four HIV-1...
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