Data Structures and Algorithms for k-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

Published in:	Biophysica Vol. 2; no. 4; pp. 340 - 352
Main Authors:	Borelli, Roberto, Dovier, Agostino, Fogolari, Federico
Format:	Journal Article
Language:	English
Published:	Merced MDPI AG 01.12.2022
Subjects:	Algorithms conformational entropy Entropy K-D tree Methods nearest neighbours Simulation Variables VP-tree
ISSN:	2673-4125, 2673-4125
Online Access:	Get full text
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