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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Vydané v:	Biophysica Ročník 2; číslo 4; s. 340 - 352
Hlavní autori:	Borelli, Roberto, Dovier, Agostino, Fogolari, Federico
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Merced MDPI AG 01.12.2022
Predmet:	Algorithms conformational entropy Entropy K-D tree Methods nearest neighbours Simulation Variables VP-tree
ISSN:	2673-4125, 2673-4125
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