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protein folding

1,973 papers

#protein folding Open access Sep 2026

Computational modeling of an RNA-peptide world

It is hypothesize that the RNA world was, actually, an ‘RNA-peptide world’, in which, from the earliest stages of evolution, evolving RNA molecules interacted with short random peptides synthesized in a non-templated manner, which could drive the evolution of diverse RNA structures and activities, and eventually, of th...

Harutyun Sahakyan, Y. Wolf, E. Koonin · 0 citations
#protein folding Open access Sep 2026

Interpretable machine learning models for predicting New-onset acute organ injury within 48 hours of admission in patients with community-acquired acute cholangitis

Community-acquired acute cholangitis (CAAC) can progress to acute organ injury (AOI), increasing poor prognosis risk. This study aimed to develop machine learning models using clinical information obtained before AOI onset to predict new-onset AOI within 48 h after admission in patients with CAAC. This singl...

Zhi-Xiang Xu, Jun Yao, K. Yan et al. · 0 citations
#protein folding Sep 2026

A component-resolved in vitro skin barrier model for assessing nanoplastic retention and barrier susceptibility.

Human-relevant in vitro models are needed to assess dermal nanoplastic hazards, yet current skin penetration approaches often treat the stratum corneum as a compositionally uniform barrier. This limits mechanistic understanding of how barrier biochemistry relates to nanoplastic retention, particularly in skin states wi...

Yuxuan He, Hui Huang, Jing Yang et al. · 0 citations
#protein folding Open access Sep 2026

Time‐Dependent Voronoi Analysis of Amino Acid Side‐Chain Packing in Simulations

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...

Sofiya B. Bettencourt, Wonmuk Hwang · 0 citations
#protein folding Review Open access Sep 2026

Tat-dependent protein translocation and its evolution.

The Tat system is a general translocation machinery responsible for the transport of folded proteins across biological membranes that are energized by a proton or sodium motive force at these membranes. Protein substrates are characterized by usually amino-terminal signal peptides harboring a conserved twin-arginine se...

T. Brüser, Carsten Sanders · 0 citations
#protein folding Dataset Open access Sep 2026

Structure-first census of JAMM catalytic-site modification across the MPN fold: pipeline, measurement tables and raw structural searches

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...

Marc Zimmer · 0 citations
#protein folding Open access Sep 2026

Structural Universality in Natural Systems: A Comparative Analysis of Ten Diverse Classifications Branching-Type Structural Analogy in Ten Unrelated Systems

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...

Юрий Васильев · 0 citations
#protein folding Open access Sep 2026

Structural Universality in Natural Systems: A Comparative Analysis of Ten Diverse Classifications Branching-Type Structural Analogy in Ten Unrelated Systems

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...

Юрий Васильев · 0 citations
#protein folding Open access Sep 2026

PepBench v1.0.0: Peptide Binder Backbone Templates

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...

ProteinQure (Canada), David Earl Hostallero, Glenn Butterfoss et al. · 0 citations
#protein folding Open access Sep 2026

Discovery of Novel Antiviral Scaffolds, Potent Inhibitors of Respiratory Syncytial Virus Fusion

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...

Imad A. Abu‐Yousef · 0 citations
#protein folding Dataset Open access Sep 2026

BOLTRA functional pilot dataset: seven-mode biomolecular design and post-design analysis

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...

Olanrewaju Ayodeji Durojaye, Soukayna Baammi, Mohamed Moussaoui et al. · 0 citations
#protein folding Sep 2026

Multimodal Sensitivity Enhancement of Binding-based Diagnostic Assays Using Functional Hydrogels

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...

Pranshu Rajurkar, Samantha D Wise, Aniruddh Sarkar · 0 citations

From tech blogs

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Google DeepMind Blog Sep 30, 2026

Introducing SynthID Bio

Proof of concept for watermarking AI-generated proteins while preserving biological function.

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.

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