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New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities.
Arnaud Blondel
Martin Karplus
Published in:
J. Comput. Chem. (1996)
Keyphrases
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three dimensional
free energy
planar curves
database
search algorithm
higher order
neural network
bayesian networks
multiscale
multiresolution
linear programming
quadratic programming
differential geometry
quantum mechanics