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Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm.

Yan M. H. GonçalvesSadra KashefolghetaMarina P. OliveiraPhilippe H. HünenbergerBruno A. C. Horta
Published in: J. Comput. Chem. (2022)
Keyphrases
  • improved algorithm
  • probabilistic model
  • expectation maximization
  • information theory
  • user interaction
  • matching algorithm
  • force field