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2,054 papers
A genome engineering technology is used to change a single amino acid in the viruses’ main protease enzyme to match that of circulating Omicron isolates to demonstrate antiviral efficacy of approved drugs and uncover mutants with reduced drug sensitivity.
It is found that this test to judge whether a computer program predicts whether a genetic variant causes disease is easier to pass than it looks, and about half the advantage held by programs trained on clinical data disappears once the gene pattern is removed.
Findings highlight compound D as a promising lead candidate for short-bath therapy against N. melleni and suggest that cytoskeletal disruption through β-tubulin interaction represents a plausible mechanism of action.
A generalized essential dynamics-refined ENM (edENM) is introduced for both DNA, RNA, and protein-nucleic acid complexes, parametrized against a diverse set of molecular dynamics simulations and validated using experimental ensembles from nuclear magnetic resonance, X-ray crystallography, and cryogenic electron microsc...
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This research introduces a novel strategy to augment casein expression in ruminants, providing a significant theoretical foundation and technical support for the precision breeding of high-casein dairy cows and goats.
Quercetin exerts anti-fibrotic effects on vocal folds by multi-target inhibition of PI3K/AKT and MAPK signaling pathways, thereby modulating fibroblast behavior, preserving extracellular matrix integrity, and restoring key matrix components such as hyaluronic acid and elastic fibers.
Data indicate the KP.2 mRNA vaccine generates durable, cross-reactive responses against current Omicron subvariants, however, ongoing spike evolution impacts the neutralization of emerging lineages, highlighting the need for continued viral monitoring and timely vaccine updates.
A comparative overview of dual experimental and computational advancements is provided and how the integration of generative diffusion models could facilitate the real-time simulation of conditional, multi-state structural ensembles across the redox proteome is highlighted.
This work discusses peptide grafting into hypervariable and framework loops, terminal fusion to antibody chains, Fc-peptide fusion proteins, and bioconjugation approaches, and examines examples that illustrate the importance of insertion site, peptide topology, and linker design for folding, activity, and developabilit...
Optimization of UM171, a molecular glue initiating the degradation of neosubstrate HDAC1/2–CoREST–LSD1 through a multiprotein complex formed with KBTBD4, resulted in a 20‐fold improvement in glue activity, demonstrated by the stability of its ternary complex with KBTBD4‐HDAC2.
The model showing higher stability in molecular dynamics simulations and consistency with known structure–activity relationships served as template to design novel hNPS analogues, which revealed the model's inability to capture hNPS bioactive conformation, as most analogues were inactive as agonists.
Owing to the collateral trans-cleavage activity of Cas12a and the high peroxidase-like nanozyme activity of G4/Hemin, this method achieves the highly sensitive SERS detection of genetically modified samples without target gene preamplification.
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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