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Jorge R. Espinosa

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Open access Oct 2026

LGR5-high colorectal cancer defines a Wnt-active stem-like state with multimodal therapeutic vulnerabilities

Leucine-rich repeat-containing G protein-coupled receptor 5 (LGR5) marks a stem-like colorectal cancer population but is difficult to target directly because of its expression in normal intestinal stem cells. Here, we integrated transcriptomic, somatic mutation, and copy-number data from 396 colorectal tumors to define...

Lucía Paniagua-Herranz, A. Feito, Cristian Privat et al. · 0 citations
Open access Sep 2026

PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators

Intrinsically disordered proteins, topologically complex protein surfaces, and biomolecular condensates regulate essential cellular processes but remain difficult to drug with conventional small molecules. Here, we present PepSpace, a physics-driven directed-evolution platform coupling residue-resolution coarse-grained...

J. Oller-Iscar, A. Tejedor, A. Feito et al. · 0 citations
Open access Oct 2026

Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separation

Understanding how chromatin’s physicochemical properties shape its emergent organization is central to deciphering genome function. To address this, we present OpenCGChromatin, a high-performance coarse-grained model that achieves near-atomistic simulations of chromatin systems an order of magnitude larger than previou...

Kieran O. Russell, Yi-Fang Chen, Jorge R. Espinosa et al. · 0 citations
Open access Sep 2026

Size Control of hnRNPK-based Nucleolar Condensates by RNA-Regulated Fusion Dynamics

Nucleoli are liquid-like condensates whose size is actively conserved—they remain small, numerous, and resistant to coalescence—yet the molecular mechanisms that constrain their fusion remain poorly understood. Heterogeneous nuclear ribonucleoprotein K (hnRNPK), an RNA-binding protein implicated in nucleolar organizati...

A. Tejedor, J. Luengo, Pablo Llombart et al. · 0 citations
Open access Aug 2026

Prognostic stratification by LGR5 expression identifies surface-accessible, structurally ligandable and condensate-forming targets in colorectal cancer

LGR5 expression defines a colorectal cancer subset that is pharmacologically tractable despite the absence of genetic dependency, including condensate-directed modulation of NKD1 as a route to targets inaccessible by antibody- or pocket-based approaches.

Lucía Paniagua-Herranz, A. Feito, Cristian Privat et al. · 0 citations
Open access Aug 2026

Compositional control of FUS condensate ageing through aggregation-prone interaction networks

This work performs equilibrium and non-equilibrium residue-resolution molecular dynamics simulations to determine how RNA and heterotypic protein interactions regulate the pathological hardening of multicomponent FUS-containing condensates inspired by stress-granule composition.

Eduardo Pedraza, Óscar Rebato, A. Feito et al. · 0 citations

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