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protein folding

2,550 papers

#protein folding Open access Aug 2026

In Silico Functional Assessment of COL4A3, COL4A4, and COL4A5 SNPs in Alport Syndrome

A substantial number of deleterious variants involved glycine substitutions, which are likely to affect protein flexibility, folding, and intermolecular interactions, potentially impairing the structural integrity of the glomerular basement membrane.

Beyza Rümeysa Erginal Geç, Tuğba Kaman, Mesut Karahan · 0 citations
#protein folding Open access Aug 2026

Computational Structural Modeling of the TTN p.(Arg3936Ter) Variant in a Panamanian Patient with Dilated Cardiomyopathy

Established genomic and population-level evidence support a Likely Pathogenic, loss-of-function classification for the TTN p.Arg3936Ter variant, which introduces a premature termination codon predicted to generate a truncated titin protein of 3,935 amino acids and is predicted to escape nonsense-mediated decay.

Lydier De Gracia, O. Espinosa, L. Sotillo et al. · 0 citations
#protein folding Open access Sep 2026

Title: Dynamical Topology Optimization for Complexity

Dynamical Topology Optimization (DTO) provides a framework for optimizing complex network topologies by iteratively refining connections based on emergent properties. This paper introduces a novel algorithm, termed 'Adaptive Topology Evolution', which integrates reinforcement learning and graph theory to achieve automa...

Jincheng Zhang · 0 citations
#protein folding Open access Sep 2026

Connectivity-aware geometric descriptors for catalytic site mapping across non-homologous proteins

Motivation: Convergent evolution produces enzymes with different folds but identical catalytic mechanisms, yet no method reliably detects shared catalytic sites across non-homologous proteins. Dedicated catalytic site tools achieve recall below 4%, and general-purpose aligners sacrifice local catalytic geometry for glo...

Nicholas Harkiolakis · 0 citations
#protein folding Open access Sep 2026

Connectivity-aware geometric descriptors for catalytic site mapping across non-homologous proteins

Motivation: Convergent evolution produces enzymes with different folds but identical catalytic mechanisms, yet no method reliably detects shared catalytic sites across non-homologous proteins. Dedicated catalytic site tools achieve recall below 4%, and general-purpose aligners sacrifice local catalytic geometry for glo...

Nicholas Harkiolakis · 0 citations
#protein folding Open access Sep 2026

Chemical profiling of Egregia menziesii and anti-inflammatory potential in LPS-activated RAW 264.7 macrophages

The immunomodulatory effect of E. menziesii safely regulates macrophage behavior, IL-1β and IL-6 release and promotes scratch area reduction and could be linked to the presence of sulfate polysaccharides and mannitol.

Omar Arroyo-Xochihua, A. Sánchez-Medina, Ó. López-Franco et al. · 0 citations
#protein folding Open access Sep 2026

ESMCHalo: homology-aware halophile-associated protein prediction with leakage-free knowledge distillation

ESMCHalo is a frozen protein-sequence predictor that combines ESMC-600M layer-36 canonical mean representations with five compact student heads trained using leakage-free out-of-fold knowledge distillation. The release provides frozen inference code, model checkpoints, calibration, a fixed threshold, verification utili...

Fang Lv, Hutao Jin, Qishuai Ma et al. · 0 citations
#protein folding Open access Sep 2026

RojhanGenomics/tp53-prima1-md-simulation: v2.0.0 - Post-review revision: topology fix, additional analyses (IE, decomposition, DSSP, Zn), negative control, 4th replicate, cross-engine docking validation

[Post-submission revision] - 2026-09 Following a desk rejection from JBSD (concerns: depth of analysis, novelty, rationale clarity), the following additional analyses and fixes were made. Fixed Protein topology (Leu289 truncation): topology/topol_Protein_chain_A.itp was found to be missing 11 atoms (CD1/CD2 side chain...

Mahdieh Rojhan Genetics · 0 citations
#protein folding Open access Sep 2026

Laser preconditioning with a 755-nm picosecond diffractive lens array accelerates cutaneous wound healing via early activation of reparative gene networks

Preconditioning the skin with non-ablative laser energy represents a promising strategy to enhance tissue repair, yet its biological mechanisms remain incompletely defined. This study investigated whether pre-injury stimulation using a 755-nm picosecond Alexandrite laser (PSAL) equipped with a diffractive lens array (D...

Da-Sol Kim, Hyunjin Kim, Byunghyuk Lee et al. · 0 citations
#protein folding Open access Sep 2026

RojhanGenomics/tp53-prima1-md-simulation: v2.0.0 - Post-review revision: topology fix, additional analyses (IE, decomposition, DSSP, Zn), negative control, 4th replicate, cross-engine docking validation

[Post-submission revision] - 2026-09 Following a desk rejection from JBSD (concerns: depth of analysis, novelty, rationale clarity), the following additional analyses and fixes were made. Fixed Protein topology (Leu289 truncation): topology/topol_Protein_chain_A.itp was found to be missing 11 atoms (CD1/CD2 side chain...

Mahdieh Rojhan Genetics · 0 citations
#protein folding Open access Sep 2026

Computational Exploration of the Structural, Electronic and Nonlinear Optical Properties of Substituted Piperidine Scaffold: A DFT and Molecular Docking Approach

An investigation into the structural, electronic and reactive properties of a substituted piperidine scaffold were conducted using density functional theory (DFT) at the B3LYP/6-31 G(d) level of theory. Molecular geometry optimization established a stable equilibrium structure. Frontier molecular orbital (FMO) analysis...

G. Baskar, J. Veeramalini, J. Jebaraj · 0 citations
#protein folding Open access Sep 2026

ESMCHalo: homology-aware halophile-associated protein prediction with leakage-free knowledge distillation

ESMCHalo is a frozen protein-sequence predictor that combines ESMC-600M layer-36 canonical mean representations with five compact student heads trained using leakage-free out-of-fold knowledge distillation. The release provides frozen inference code, model checkpoints, calibration, a fixed threshold, verification utili...

Fang Lv, Hutao Jin, Qishuai Ma et al. · 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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