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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BlackWell Publishing Ltd
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4238811/ https://www.ncbi.nlm.nih.gov/pubmed/24311273 http://dx.doi.org/10.1002/jcc.23504 |