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Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method.
Hiroaki Nishizawa
Hisashi Okumura
Published in:
J. Comput. Chem. (2016)
Keyphrases
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boundary conditions
similarity measure
finite element method
spline interpolation
image processing
objective function
upper bound
denoising
theoretical analysis
shape from shading
boundary value problem
poisson equation