An Efficient Algorithm for Searching Low - energy Conformers of Cyclic and

  • Hitoshi GotCa
  • Published 2003

Abstract

A set of strategies for exhaustively finding low-energy conformers of cyclic, acyclic or alicyclic molecules is presented. Starting from any conformation, local perturbation is systematically applied t o all the flexible portions of the molecule in question t o produce candidates of new conformation. The perturbations consist of flapping and/or f l ipping… (More)

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Cite this paper

@inproceedings{GotCa2003AnEA, title={An Efficient Algorithm for Searching Low - energy Conformers of Cyclic and}, author={Hitoshi GotCa}, year={2003} }