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. 1990 Sep;4(3):271-82.
doi: 10.1007/BF00125015.

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations

A R Leach  1 , K Prout, D P Dolata
Affiliations

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations

A R Leach et al. J Comput Aided Mol Des. 1990 Sep.

Abstract

The method of constructing low-energy conformations using template joining can provide an efficient means of searching the conformational space of molecules. The simplest algorithm to perform this task would construct each potential conformation from scratch. However, new algorithms, some of which use techniques from Artificial Intelligence, have been developed which can greatly improve the efficiency of this approach.

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References

    1. J Comput Aided Mol Des. 1988 Jul;2(2):107-23 - PubMed
    1. J Comput Aided Mol Des. 1987 Apr;1(1):73-85 - PubMed

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