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1.
Accurate estimation of the entropy of rotation-translation probability distributions
Federico Fogolari, Cedrix Jurgal Dongmo Foumthuim, Sara Fortuna, Miguel Angel Soler, Alessandra Corazza, Gennaro Esposito, 2016, original scientific article

Abstract: The estimation of rotational and translational entropies in the context of ligand binding has been the subject of long-time investigations. The high dimensionality (six) of the problem and the limited amount of sampling often prevent the required resolution to provide accurate estimates by the histogram method. Recently, the nearest-neighbor distance method has been applied to the problem, but the solutions provided either address rotation and translation separately, therefore lacking correlations, or use a heuristic approach. Here we address rotational–translational entropy estimation in the context of nearest-neighbor-based entropy estimation, solve the problem numerically, and provide an exact and an approximate method to estimate the full rotational–translational entropy.
Found in: ključnih besedah
Summary of found: ...entropy, probability distribution, molecular dynamics, nearest-neighbor...
Keywords: entropy, probability distribution, molecular dynamics, nearest-neighbor
Published: 11.10.2016; Views: 3205; Downloads: 0
.pdf Fulltext (1,47 MB)

2.
The BTW mechanism on a self-similar image of a square
Alexander Shapoval, M. Shnirman, 2012, original scientific article

Found in: ključnih besedah
Summary of found: ...sandpile, power-law probability distribution, universality class...
Keywords: sandpile, power-law probability distribution, universality class
Published: 19.04.2021; Views: 827; Downloads: 0
.pdf Fulltext (414,17 KB)

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