- changed title to PLS-DA
- edited description
PLS-DA
Hi, I am asking if bio3D supports the implementation of the PLS-DA algorithm or something similar to cluster/discriminate the ensembles coming from different MD simulations of the same protein bound to different partners.
Regards, Marawan
Comments (6)
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reporter -
Hi,
Can you provide more details about PLS-DA, better with appropriate literatures? Then, we may consider including it if necessary. Thanks!
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reporter Here is one study: http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1002704 and also: http://aip.scitation.org/doi/full/10.1063/1.4961227
I was also asking if you have an implementation of the causality algorithm, derived from information theory, similar to what is discussed here: http://www.sciencedirect.com/science/article/pii/S0006349509012375
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This looks interesting Marawan and would be a nice addition to structure analysis in bio3d. Feel free to contribute if you are interested and we'll aid when the first draft is in place.
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- marked as minor
- removed responsible
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- changed component to ToDo
- changed version to v2.4/3.0 [future]
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