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Conformational Sampling of Bioactive Molecules: A Comparative Study.

Dimitris K. AgrafiotisAlan C. GibbsFangqiang ZhuSergei IzrailevEric J. Martin
Published in: J. Chem. Inf. Model. (2007)
Keyphrases
  • monte carlo
  • sample size
  • random sampling
  • fine grained
  • sampling algorithm
  • coarse grained
  • genetic algorithm
  • parameter space
  • sampling strategy
  • data mining
  • machine learning
  • image reconstruction
  • sampling rate