Biomolecules Papers of the Week

This study views protein design as a search optimization problem over a combinatorial sequence space under expensive structural evaluation. Toward this goal, we introduce a novel tree-based search framework, ProteoCraft, that employs approximate structural gradients from diffusion-based structure predictors as effective proposal policies to specify where the search should explore.

In this Review, we propose that POP can be more coherently understood along a mechanics–cell–matrix axis.

Here, we present a systematic methodology for automated construction of reactive MLIPs using SPARC, an open-source workflow package that integrates AL with enhanced sampling through the PLUMED library.

Using proteomic screening, we identified CXCL12 as a candidate HSF1-associated downstream factor.

In this review, recent advances in LM‐enabled energy storage are summarized from the perspectives of physicochemical properties, micro‐/macroscopic structural regulations, and performance‐oriented applications.

Acetyl-11-keto-β-boswellic acid (AKBA), a bioactive triterpenoid derived from frankincense, possesses anti-inflammatory and antioxidant properties, but its protective effects against hypoxia-associated cognitive dysfunction remain insufficiently understood. Methods This study investigated the neuroprotective potential of AKBA administered concurrently with hypoxic exposure and explored its associated molecular alterations.

Here, we introduce El Agente Fármaco, an AI scientist that uses modern large language model (LLM) technology to turn discovery goals expressed in everyday language into complex, scalable computational screening workflows.

Here, we employed molecular dynamics simulations to investigate the influence of side-chain length and grafting density on the rheological behavior of branched polymers with a fixed backbone length.

Introduction Metabolic reprogramming and immune evasion are tightly linked in gastric cancer (GC), yet metabolic signatures are rarely leveraged to guide treatment decisions or herbal small molecule drug discovery. Methods We profiled glycolysis, lipid, and tyrosine metabolism pathways across the TCGA-STAD and GSE62254 cohorts, identified prognostic metabolic subtypes, and distilled these findings into a three-gene risk signature ( VCAN, NOS1, LCT ).

The role of apelin in atrial fibrosis linked to postoperative atrial fibrillation (POAF) following coronary artery bypass grafting (CABG) is not fully understood. This exploratory study investigated apelin's association with POAF-related atrial fibrosis and its impact on profibrotic signaling.

This work establishes a minimally invasive platform that combines bioelectronic delivery with spatially resolved readout, enabling spatiotemporal mapping of plant responses.

To characterize age-associated molecular differences in the longissimus dorsi muscle of female Ashdan yaks, this study combined Oxford Nanopore Technologies (ONT) full-length transcriptomic sequencing and untargeted LC-MS metabolomics in 27 independent animals aged 10 days (M0), 6 months (M6), and 54 months (M54), with nine animals per group.