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Exploration of the Structural Asymmetry Induced by the Intrinsic Flexibility of HIV-2 Protease
2022
Symmetry
HIV-2 protease (PR2) is a homodimer targeted by drugs in the treatment of HIV-2 infections. This dimer is often considered symmetric. However, exploration of crystallographic structures showed that the two chains of PR2 exhibit different conformations. This study presents the first analysis of the structural asymmetry of PR2 induced by its intrinsic flexibility. We followed the structural asymmetry of PR2 throughout a molecular dynamics (MD) simulation of 1 microsecond. To do so, we quantified
doi:10.3390/sym14020362
fatcat:xtree6ldwvcwthnfudyep272km