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Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24664
Abstract: We present an efficient density‐based adaptive‐resolution clustering method APLoD for analyzing large‐scale molecular dynamics (MD) trajectories. APLoD performs the k‐nearest‐neighbors search to estimate the density of MD conformations in a local fashion, which can group…
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Keywords:
molecular dynamics;
density;
dynamics trajectories;
density based ... See more keywords
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Published in 2022 at "IEEE Access"
DOI: 10.1109/access.2022.3149280
Abstract: Multivariate density estimation methods typically work well in low dimensions and their extension to data analytics in high dimensions domain has proven challenging. For density estimation in high-dimensional big data domains, the non-parametric Bayesian sequential…
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Keywords:
density;
estimation high;
density estimation;
high dimensional ... See more keywords