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A method to apply bond-angle constraints in molecular dynamics simulations.

Maria PechlanerAndreas P. DortaZhixiong LinVictor H. RusuWilfred F. van Gunsteren
Published in: J. Comput. Chem. (2021)
Keyphrases
  • theoretical analysis
  • data mining
  • objective function
  • scheduling problem
  • response time
  • statistical methods