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Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies.
Andreas Mecklenfeld
Gabriele Raabe
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
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force field
active contour model
active contours
deformable models
ear biometrics
external force
gradient vector flow
information theory
higher order
graph cuts
energy function
energy minimization
computer vision
vector field
level set
gradient field