Compare the electrostatic energy between the mutants of HIV-1 protease when binding to lopinavir

Abstract: Electrostatic interaction plays an important role in the binding of HIV-1 protease and ligand. Understanding the role of this interaction may assist designing better drugs targeting on HIV/AIDS disease. In this work, we have applied the Poisson – Boltzmann method to calculate the binding electrostatic energy between HIV-1 protease and lopinavir. The results imply that the inhibitor binds stronger […]

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