T cell receptor (TCR) recognition of peptide-MHC complexes (pMHCs) is central to adaptive immunity. Structural insights into TCR-pMHC interactions are critical for understanding antigen specificity and T-cell function. However, progress remains limited by the scarcity of experimentally resolved structures (275 TCR-pMHC...
Alex Ascunce-París, Miguel Romero-Durana, Alfonso Valencia et al.· Frontiers in Immunology· 0 citations
It is found that reverse folding algorithms are unable to energetically minimize evolutionary conserved frustration at specific residues, even when detrimental to overall structural stability, and it is proposed that these frustration hotspots act as architectural spandrels, inherent physical constraints of the fold th...
Miriam Poley-Gil, Miguel Fernández-Martín, Alin Banka et al.· bioRxiv· 2 citations
Genome-scale metabolic models can predict how individual cells allocate resources and respond to their environment, yet few frameworks link single-cell metabolism to the spatial organisation of multicellular systems. Here we introduce PhysiCelldFBA, an extension of the PhysiCell agent-based framework that couples genom...
Marco Ruscone, Othmane Hayoun-Mya, R. Heiland et al.· bioRxiv· 0 citations
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