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X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy

[Image: see text] X-Entropy is a Python package used to calculate the entropy of a given distribution, in this case, based on the distribution of dihedral angles. The dihedral entropy facilitates an alignment-independent measure of local protein flexibility. The key feature of our approach is a Gaus...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Kraml, Johannes, Hofer, Florian, Quoika, Patrick K., Kamenik, Anna S., Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8154256/
https://ncbi.nlm.nih.gov/pubmed/33719418
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01375
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