Background Biomolecular dataset construction often requires coordinated retrieval from heterogeneous repositories, identifier mapping, cross-reference enrichment, source-specific parsing, and provenance recording. These operations are frequently implemented through project-specific scripts, making acquisition procedure...
Diego Fernández, Julián García-Vinuesa, Diego Alvarez-Saravia et al.· bioRxiv· 0 citations
Binding of tau protein to microtubule (MT) supports the stability and cellular functions of MT. Aberrations in tau-MT binding are linked to several neurodegenerative diseases. Little is known about how regions outside the four canonical MT-binding repeat regions of tau protein (R1–R4) are involved in MT binding. Here...
Kalyan S. Chakrabarti, L. Russo, Dipendu Dhar et al.· Journal of Physical Chemistr...· 0 citations
Findings show that performance estimates in protein function prediction should be interpreted as outcomes of complete data-centric workflows rather than isolated properties of predictive models.
A methodological framework for resistance-aware antimicrobial peptide discovery is proposed built upon three complementary principles: explainable and uncertainty-aware prediction, biologically constrained and rule-guided generative design, and iterative design–test–learn workflows capable of continuously incorporating...
Ana Luisa Islas-Avila, Julián García-Vinuesa, Nicole Soto-García et al.· Frontiers in Drug Discovery· 0 citations
This review focuses on coordinate- and residue-frame-based diffusion approaches for generating protein structures, paying particular attention to geometric equivariance, conditioning strategies, all-atom modelling and interaction-aware design.
Wen-Ran Li, Xavier F. Cadet, David Medina-Ortiz et al.· International Journal of Mol...· 0 citations
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