In Search of the Best Low-Cost Methods for Efficient Screening of Conformers
Author:
Affiliation:
1. School of Chemistry, The University of New South Wales, Sydney, NSW 2052, Australia
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c01407
Reference42 articles.
1. Stochastic exploration of molecular mechanics energy surfaces. Hunting for the global minimum
2. An internal-coordinate Monte Carlo method for searching conformational space
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4. An unbounded systematic search of conformational space
5. Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules
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