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On the effect of a variation of the force field, spatial boundary condition and size of the QM region in QM/MM MD simulations.
Katharina Meier
Walter Thiel
Wilfred F. van Gunsteren
Published in:
J. Comput. Chem. (2012)
Keyphrases
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boundary conditions
force field
reference object
active contour model
spatial information
input image
deformable models
shape from shading
computer vision
multiscale
medical images
active contours
spatial relationships
information theory
deformation field
gradient field