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ZENODO
Dataset . 2026
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
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Claim

Pre-reactive organisation and hydration-coupled processing of the TLR8 Z-loop cleavage - DATASET

Research datakeyboard_double_arrow_right Dataset 10 Apr 2026Publisher:Zenodo
Authors: Bzówka, Maria; Szleper, Katarzyna; Stańczak, Agnieszka; Borowski, Tomasz; Góra, Artur;

doi: 10.5281/zenodo.19492601 , 10.5281/zenodo.19492602

Pre-reactive organisation and hydration-coupled processing of the TLR8 Z-loop cleavage - DATASET

Abstract

The dataset comprises:i) AlphaFold-Multimer predictions for TLR8LRR-furin complexii) The optimised structures of QM cluster models for reactant (RE), intermediate1-3 (INT1-INT3), product (PROD) and TS1-TS4 using BP-86/def2-TZVPD/COSMO-RS εr=78iii) The optimised structures of QM/MM model for RE, INT1-INT3, PRODiv) Input structures used in MD simulations for RE, INT1-INT3, PROD and parameterisation files for non-standard residues v) PyMOL sessions from AQUA-DUCT calculations for RE, INT1-INT3, PROD

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Keywords

Toll-Like Receptors, proteolytic cleavage, furin protease

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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