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Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field.
Marie L. Laury
Zhi Wang
Aaron S. Gordon
Jay W. Ponder
Published in:
J. Comput. Aided Mol. Des. (2018)
Keyphrases
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force field
active contours
active contour model
gradient vector flow
ear biometrics
deformable models
information theory
graph cuts
markov random field
higher order
image processing
energy minimization
object boundaries
external force
image registration
three dimensional
image segmentation