Article ID Journal Published Year Pages File Type
1393197 European Journal of Medicinal Chemistry 2010 9 Pages PDF
Abstract
The drug resistance mechanisms of three mutants to an inhibitor GRL-98065 are explained by using binding free energies and structural analysis. The results agree well with the experimental results.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Preview
Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations
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