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A Variable Neighbourhood Descent Heuristic for Conformational Search Using a Quantum Annealer
Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in in silico materials design and drug discovery. In this paper, we propose a variable neighbourhood search heuristic for the conformational search problem. Using the structure of...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6757033/ https://www.ncbi.nlm.nih.gov/pubmed/31548549 http://dx.doi.org/10.1038/s41598-019-47298-y |