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Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.

Djurre H. De JongLars V. SchäferAlex H. de VriesSiewert J. MarrinkHerman J. C. BerendsenHelmut Grubmüller
Published in: J. Comput. Chem. (2011)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • game theory
  • structural models
  • nash equilibrium