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2,452 papers
The RF model predicted new-onset AOI within 48 h in patients with CAAC and provided interpretable individual risk information through SHAP analysis and Decision curve analysis demonstrated a positive net clinical benefit.
A component-resolved in vitro stratum corneum model is developed to quantify interactions between 50 nm polystyrene nanoplastics and six major skin barrier constituents, characterizing how stratum corneum constituents differ in operational retention of nanoplastics, providing a hazard-relevant basis for, rather than a...
The Voro++ library is adopted to investigate time-dependent amino acid packing in molecular dynamics trajectories of a titin immunoglobulin domain at 300 and 400 K and detect delicate changes preceding protein conformational transition or unfolding, and analyzing protein-protein interface reorganization or surface hydr...
Current knowledge on the Tat system is reviewed, with a focus on evolutionary aspects, and by including recent structural and mechanistic insights, to review the current knowledge on this mechanistically unique translocation pathway.
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Pipeline and data for a structure-first census of the JAMM zinc isopeptidase site across 3,884 verified MPN-fold proteins. Catalytic-site positions are read by three-dimensional superposition onto a reference MPN+ domain (PDB 1R5X chain A) rather than by sequence alignment; fold membership is verified by secondary-stru...
We compare ten systems with no direct physical or informational connection: special numbers, as well as Mersenne and Wagstaff numbers (mathematics), stable isotopes of chemical elements (nuclear physics), genetic code degeneracy (molecular biology), Bravais crystallographic lattices (crystallography), the Hertzsprung–R...
We compare ten systems with no direct physical or informational connection: special numbers, as well as Mersenne and Wagstaff numbers (mathematics), stable isotopes of chemical elements (nuclear physics), genetic code degeneracy (molecular biology), Bravais crystallographic lattices (crystallography), the Hertzsprung–R...
Initial public release of PepBench, a benchmark of de novo peptide-binder backbone templates for inverse-folding evaluation. Contents 353 two-chain peptide–receptor PDB complexes 12 protein targets Peptide backbone lengths of 8, 16, and 24 residues Chain A: backbone-only poly-glycine designed peptide Chain B: fixed rec...
Respiratory syncytial virus (RSV) is a major cause of respiratory infections, particularly in infants, older adults, andother vulnerable populations. Although three vaccines have recently been approved to prevent RSV infection inpregnant women and adults aged 60 years and above, there remains a significant unmet need f...
This dataset contains the complete computational records from seven 20-design pilot runs performed during the development and validation of BOLTRA v1.0.0 (BoltzGen Orchestration Layer for Targeted design and Results Analysis). BOLTRA is a guided and resumable workflow layer for BoltzGen that supports design-specificati...
Immunoassays are critical for clinical diagnostics, yet their performance is restricted by the physical constraints of flat surfaces used to immobilize capture molecules which limit loading capacity and induce protein denaturation. Hydrogels provide immense volumetric molecular loading capacity but translating them acr...
Abstract Rhabdomyosarcoma (RMS) is the most common pediatric soft tissue sarcoma, and new treatments are urgently needed. Our prior work showed RMS has enhanced sensitivity to pharmacological inhibitors of NAMPT, the rate-limiting enzyme of the NAD+ salvage pathway and the only clinically targetable enzyme of NAD+ synt...
Proof of concept for watermarking AI-generated proteins while preserving biological function.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
Scientists are using AlphaFold to strengthen a photosynthesis enzyme for resilient, heat-tolerant crops.
Explore how AlphaFold has accelerated science and fueled a global wave of biological discovery.
AlphaFold has revealed the structure of a key protein behind heart disease
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