Data Structures and Algorithms for <i>k</i>-th Nearest Neighbours Conformational Entropy Estimation

Data Structures and Algorithms for <i>k</i>-th Nearest Neighbours Conformational Entropy Estimation

Entropy of multivariate distributions may be estimated based on the distances of nearest neighbours from each sample from a statistical ensemble. This technique has been applied on biomolecular systems for estimating both conformational and translational/rotational entropy. The degrees of freedom wh...

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Bibliographic Details
Main Authors: Roberto Borelli, Agostino Dovier, Federico Fogolari
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Biophysica
Subjects:
entropy
conformational entropy
nearest neighbours
K-D tree
VP-tree
Online Access:https://www.mdpi.com/2673-4125/2/4/31

Internet

https://www.mdpi.com/2673-4125/2/4/31

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