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HIV‐1 protease (HIV‐PR) performs a vital step in the virus life cycle which makes it an excellent target for drug therapy. However, due to the error‐prone of HIV reverse transcriptase, mutations in HIV‐PR often occur, inducing drug‐resistance to inhibitors. Some HIV‐PR mutations can make the flaps of the enzyme more flexible thus increasing the flaps opening rate and inhibitor releasing. It has been...
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