Skip to content

Category

protein folding

562 papers

#protein folding Open access Aug 2026

A composite model incorporating systemic inflammatory burden and GRACE score for enhanced identification of elevated myocardial stress in acute myocardial infarction: an exploratory analysis

Acute myocardial infarction (AMI) remains a leading cause of mortality and heart failure worldwide. Early identification of patients with elevated myocardial stress, a key driver of adverse outcomes, is clinically important. However, the utility of a composite inflammatory burden score for this purpose remains unclear. This retrospective study enrolled 302 consecutive patients hospitalized for AMI at Shenzhen Qianhai Shekou Hospital between January 2023 and December 2024, with 50 healthy controls for descriptive purposes only. Patients were stratified into three groups based on their systemic inflammatory burden score (SIBS): low (score 0), intermediate (score 1), and high (score 2) inflammatory burden. Clinical characteristics, laboratory parameters, and in-hospital outcomes were compared across groups. Receiver operating characteristic (ROC) curve analysis was performed to evaluate the discriminatory ability of SIBS, GRACE score, hs-CRP, albumin, C-reactive protein-to-albumin ratio (CAR), and a composite logistic regression model combining SIBS ≥ 1, GRACE score, and hs-CRP for identifying elevated myocardial stress, defined as NT-proBNP >75th percentile (647 pg/mL) as an exploratory surrogate endpoint. Areas under the curve (AUC) were compared using the DeLong test. Internal validation was performed using 10-fold cross-validation and bootstrap optimism correction on the final model. The SIBS was significantly correlated with heart rate, Killip class, GRACE score, left ventricular ejection fraction (LVEF), prevalence of multi-vessel coronary disease, and length of hospital stay in AMI patients ( P  < 0.05). The high inflammatory burden group (SIBS = 2) exhibited more severe cardiac dysfunction and extensive coronary artery disease. For identifying elevated myocardial stress, the GRACE score yielded the highest AUC among individual markers (0.766), followed by albumin (0.707) and hs-CRP (0.671). The composite model incorporating SIBS ≥ 1, GRACE score, and hs-CRP significantly improved discriminatory capacity, achieving an apparent AUC of 0.815 (95% CI: 0.737–0.888), which was superior to any single marker alone ( P  < 0.05). After bootstrap optimism correction, the corrected AUC was 0.798, and the Hosmer-Lemeshow test indicated good calibration ( P  = 0.32). The model also showed a Brier score of 0.168, a calibration slope of 0.94 (95% CI: 0.82–1.06), and a calibration intercept of −0.12 (95% CI: −0.45 to 0.21). In this exploratory analysis, SIBS is associated with clinical severity and myocardial stress in AMI patients. A composite model combining SIBS, GRACE score, and hs-CRP improves identification of elevated myocardial stress compared with single biomarkers in this exploratory analysis. External validation is needed before clinical application.

Liyun Peng, Wenji Lin, Meng-Jia Wang et al. · 0 citations
#artificial intelligence Preprint Sep 2026

SymFold: Synergizing Evolutionary and Structural Priors for Accurate Protein Inverse Folding

Protein inverse folding aims to recover amino acid sequences for a given 3D protein structure, underpinning broad applications such as enzyme engineering and drug discovery.Current methods often follow a serial pipeline, in which a structure encoder predicts a coarse sequence, which is then refined by protein language models (PLMs). However, because PLMs only perform post-hoc sequence edits, the refinement is bounded by the quality of upstream predictions.Thanks to recent multimodal protein language models (MPLMs), we could directly encode structure to generate sequences with pretrained structural knowledge, but we observe that they are not effective for inverse folding. Therefore, we introduce a symmetric dual-path architecture that both leverages PLMs for pretrained sequence evolution knowledge and MPLMs for pretrained structural knowledge to iteratively guide protein sequence generation.Through extensive experiments across standard protein inverse folding benchmarks, our method achieves state-of-the-art performance, surpassing prior approaches, and ablation studies validate the rationale of our symmetric design, revealing a promising direction for the community.

Han-Dong Wang, Jiaxin Qi, Baisheng Lai et al. · 0 citations
#protein folding Open access Aug 2026

Dynamic Protein Structure Paradox: An Integrative Framework for Endpoint-Conditioned Evidentiary Sufficiency in Structure-to-Function Claims

The Dynamic Protein Structure Paradox is defined as the apparent conflict between structural accuracy and functional underdetermination and DPSP is developed as an integrative evidentiary assessment framework rather than a new theory or paradigm.

Sarfaraz K. Niazi · 0 citations
#protein folding Open access Aug 2026

Development and validation of machine learning models for 30-day mortality prediction in septic shock

The RF model based on six readily available laboratory parameters accurately predicts 30-day mortality in septic shock patients, however, the findings are limited by the single-center retrospective design and lack of external validation, warranting further multi-center studies to confirm generalizability.

Shan-Bi Chang, Yue-Bang Wang, Zi-Jin Zhang et al. · 0 citations
#protein folding Open access Aug 2026

Nanoindentation-Informed Skin Bilayer Modeling Links Stiffness Heterogeneity to Curvature Localization Under Glycation and Carbonyl Stress

It is suggested that spatial stiffness heterogeneity, rather than stiffening alone, contributes to predicted curvature localization in skin surrogate bilayers and may provide a mechanics-based readout for evaluating prospective cosmetic interventions.

Yiwen Li, Feng Cao, Qian-Wen Fan et al. · 0 citations
#protein folding Aug 2026

Development and ICH M10-compliant validation of an LC-MS/MS method for quantification of atirmociclib in mouse plasma and its application to preclinical pharmacokinetic studies.

The first validated liquid chromatography tandem mass spectrometry (LC-MS/MS) bioanalytical method for the quantification of atirmociclib in mouse plasma is reported, validated in compliance with international council for harmonisation-M10 (ICH-M10) guidelines.

Ashwani Gaur, U. Patel, Ashutosh Gavali et al. · 0 citations
#protein folding Open access Aug 2026

Uremic Serum Alters Gene Expression Profiles and Signaling Pathway Activity in Porcine Arterial Smooth Muscle Cells

The signaling pathways that regulate cellular redox homeostasis, the cellular waste disposal system, ER stress and autophagy are major signaling pathways involved in aSMCs’ responses to uremic serum exposure, which may contribute to the severe arterial-specific clinical symptoms observed in CKD/ESKD patients.

You-You Zheng, Kent A. Lee, U. Uriyanghai et al. · 0 citations
#protein folding Open access Aug 2026

Novel compound heterozygous SIL1 variants associated with Marinesco-Sjögren syndrome in a Chinese family

Structural prediction and coimmunoprecipitation indicate that the compound variants may be associated with the development of MSS by weakening SIL1-BiP binding, and preliminary functional evidence that the identified variants may affect SIL1 abundance and SIL1-BiP interaction, supporting their relevance to the MSS phenotype.

Yi-Zheng Jiang, Aojie Lian, Jialing Guo · 0 citations
#protein folding Open access Aug 2026

DepPrior: integrating CRISPR dependency predictability with multi-omics reproducibility to prioritize candidate LUAD therapeutic targets

Findings support DepPrior as a reproducibility-oriented, hypothesis-generating approach for target nomination for lung adenocarcinoma targets by requiring concordant evidence of CRISPR dependency separability, molecular predictability, and cross-cohort expression/protein reproducibility.

Feng-Fei Zhou, Cheng Wang, Lizhi Mo et al. · 0 citations
#protein folding Open access Aug 2026

Stable Constitutive BiP Expression Prolongs Late-Stage GLP-1–Fc Accumulation in CHO Cells

Stable constitutive expression of host-derived BiP was associated with prolonged late-stage GLP-1–Fc accumulation in the producer population examined, and these kinetics are compatible with a model in which the timing of ER chaperone supply influences the maintenance of productive output.

R. R. Shaifutdinov, Fedor A. Krukov, Anastasia S. Samok et al. · 0 citations

From tech blogs

See all →
MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

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.

Google DeepMind Blog Nov 25, 2025

AlphaFold: Five years of impact

Explore how AlphaFold has accelerated science and fueled a global wave of biological discovery.

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.