Abstract:The Human Immunodeficiency Virus Type 1 nucleocapsid 7 (NCp7) is a multifunctional protein formed by N-terminal and C-terminal domains surrounding two Znfingers, linked by a stretch of basic residues, which play a key role in the viral replication. We report the first NCp7 polarizable molecular dynamics (MD) study using the AMOEBA force field complemented by non-polarizable CHARMM simulations. Specifically, we compared the relative free-energy stability of two extreme conformations: a compact one having two ar… Show more
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