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Using one-step perturbation to predict the effect of changing force-field parameters on the simulated folding equilibrium of a beta-peptide in solution.

Zhixiong LinHaiyan LiuWilfred F. van Gunsteren
Published in: J. Comput. Chem. (2010)
Keyphrases
  • force field
  • active contours
  • active contour model
  • scale space
  • parameter estimation