Kinetic characterization of the critical step in HIV-1 protease maturation

Kinetic characterization of the critical step in HIV-1 protease maturation

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About the Work

Original article published on PNAS.

Researchers used MD simulations to capture the critical self-association of immature HIV-1 protease to its extended amino-terminal recognition motif, confirming the postulated intramolecular mechanism in atomic detail.

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Simulation Details

  • ACEMD PRO
  • AMBER Force field
  • 343.2 µs of trajectory data
  • Executed on GPUGRID.net

 

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