Tracing entire operation cycles of molecular motor hepatitis C virus helicase in structurally resolved dynamical simulations.

ABSTRACT: Hepatitis C virus helicase is a molecular motor that splits duplex DNA while actively moving over it. An approximate coarse-grained dynamical description of this protein, including its interactions with DNA and ATP, is constructed. Using such a mechanical model, entire operation cycles of an important protein machine could be followed in structurally resolved dynamical simulations. Ratcheting inchworm translocation and spring-loaded DNA unwinding, suggested by experimental data, were reproduced. Thus, feasibility of coarse-grained simulations, bridging a gap between full molecular dynamics and reduced phenomenological theories of molecular motors, has been demonstrated.

SUBMITTER: Flechsig H 

PROVIDER: S-EPMC3000295 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature