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Neighbor-list reduction: Optimization for computation of molecular van der Waals and solvent-accessible surface areas.

Jörg WeiserArmin A. WeiserPeter S. ShenkinW. Clark Still
Published in: J. Comput. Chem. (1998)
Keyphrases
  • van der waals
  • efficient computation
  • global optimization
  • nearest neighbor
  • optimization problems
  • d objects
  • x ray
  • optimization algorithm
  • optimization process
  • space reduction