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Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation
Distance metrics facilitate a number of methods for statistical analysis. For statistical mechanical applications, it is useful to be able to compute the distance between two different orientations of a molecule. However, a number of distance metrics for rotation have been employed, and in this stud...
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| Veröffentlicht in: | J Comput Chem |
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| 1. Verfasser: | |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
BlackWell Publishing Ltd
2014
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4238811/ https://ncbi.nlm.nih.gov/pubmed/24311273 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23504 |
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