Proteochemometric modeling of drug resistance over the mutational space for multiple HIV protease variants and multiple protease inhibitors.

Abstract excerpt

The main therapeutic targets in HIV are its protease and reverse transcriptase. A major problem in treatment of HIV is the ability of the virus to develop drug resistance by accumulating mutations in its targets. Acquiring detailed understanding of the molecular mechanisms for the interactions of drugs with mutated variants of the HIV virus is mandatory to be able to design inhibitors that can evade the...

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