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Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules.

Ninad V. PrabhuManoranjan PandaQingyi YangKim A. Sharp
Published in: J. Comput. Chem. (2008)
Keyphrases
  • molecular dynamics
  • scientific data
  • high performance computing
  • protein folding
  • molecular dynamics simulations
  • fluid flow
  • databases
  • scheduling problem