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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
ZENODO
Review . 2025
License: CC BY
Data sources: ZENODO
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
ZENODO
Review . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Review . 2025
License: CC BY
Data sources: Datacite
ZENODO
Review . 2025
License: CC BY
Data sources: Datacite
ZENODO
Review . 2025
License: CC BY
Data sources: Datacite
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Decoding Allosteric Inhibition in MALT1: The Hidden Role of Conformational Plasticity in Metastable States via Biased MD and Deep Learning

descriptionPublicationkeyboard_double_arrow_right Review 01 Jan 2025Publisher:Zenodo
Authors: Santos, Rodrigo Mancini; Ramalho, Teodorico Castro;

doi: 10.5281/zenodo.16942191 , 10.5281/zenodo.17088787 , 10.5281/zenodo.16942192

Decoding Allosteric Inhibition in MALT1: The Hidden Role of Conformational Plasticity in Metastable States via Biased MD and Deep Learning

Abstract

The ZIP files contain the data for both non-inhibited (system 1) and inhibited (system 2) MALT1 systems. Being them: COLVAR files obtained from biased MD simulations; Filtered hbonds used for DeepTICA analysis, DeepTICA 1 and 2 values with the associated labels of the conformation, and the trained DeepTICA weights; Trained ANN classifier weights with the separated 1000 samples for ANN external validation; Selected representative metastable monomers as a .pdb file; Python notebook codes for analysis; Simulations Input files.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
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