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Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations.

Jana ChocholousováMichael Feig
Published in: J. Comput. Chem. (2006)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • three dimensional
  • parametric representation
  • van der waals
  • wireless sensor networks
  • surface reconstruction