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Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution.

Niels HansenJozica DolencMatthias KnechtSereina RinikerWilfred F. van Gunsteren
Published in: J. Comput. Chem. (2012)
Keyphrases
  • sample size
  • monte carlo
  • mathematical model
  • random sampling
  • spatial distribution
  • sampling procedure
  • neural network
  • closed form
  • linear equations
  • biological sequences