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A Combination of Molecular Dynamics and Docking Calculations to Explore the Binding Mode of ADS-J1, a Polyanionic Compound Endowed with Anti-HIV-1 Activity.

Fabrizio ManettiCristina TintoriMercedes Armand-UgónImma Clotet-CodinaSilvio MassaRino RagnoJosé A. EstéMaurizio Botta
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • molecular dynamics
  • high performance computing
  • molecular dynamics simulations
  • human activities
  • computer vision
  • protein folding
  • database
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  • power consumption
  • scientific data