protein folding

Structural and Evolutionary Predictors of VIM-2 Mutational Fitness Revealed by Leakage-Aware, Position-Aware Machine Learning

Antibody Hotspot-Centric de Novo Design of Peptide Inhibitors of Influenza A Virus Membrane Fusion

It is demonstrated that hotspot-guided design strategy, previously applied to proteins and d-peptides, can be effectively extended to l-peptide scaffolds, enabling the development of functional HA inhibitors informed by key residues at antigen–antibody interfaces.

Neutron Crystallography Maps the Interaction Landscape of Pseudomonas aeruginosa LecA with Deuterated Aromatic β-Galactoside

Aromatic derivatives of β-galactosides are potent inhibitors of the LecA lectin, a key virulence factor of Pseudomonas aeruginosa, involved in host recognition, tissue adhesion and biofilm formation. This opportunistic bacterial pathogen is considered a serious global health threat, particularly due to the emergence of...

Polymorph-Independent Resistance to Generative Protein Design Across Five Tau Fibril Folds: A Cross-Tauopathy Benchmark

eQTL weight-source choice reshapes TWAS gene candidacy: a two-axis dual-source audit with disease-agnostic calibration and a genome-wide benchmark (code & data)

Code and processed data release accompanying the manuscript “eQTL weight-source choice reshapes TWAS gene candidacy: a two-axis dual-source audit with disease-agnostic calibration and a genome-wide benchmark” (BMC Genomics submission). v2.2.0 (2026-09-11) — numerically stable ACAT-O, fixed-threshold and architecture-un...

Multiparadigm Benchmark of Molecular Docking: From Physics to Co-Folding and Hybrid Models

This work systematically benchmarked several molecular docking tools representing all-atom models, highlighting the complementarity of AI-based approaches and methods based on physical sampling in all-atom models, in terms of their applicability range, and argues for the benefits of tighter integration.

Macrophage-derived exosomes carrying RAD50 attenuate oxidative DNA damage and p53-p21-dependent S-phase arrest in spermatogenic cells.

AIMS Occupational heat and blast overpressure impair spermatogenesis, and whether repair capacity supplied from outside the germ cell can lift the resulting block has not been tested. METHODS GC-2 spermatocytes received 1000 shock-wave pulses then 100°C for 40 s, and C57BL/6 mice received a 10% methane blast with int...

NIR-Triggered Methylgermanane Nanosheet-Embedded Hydrogels Enable Cascade Dual-Organelle Stress to Potentiate Cancer Immunotherapy.

An accelerated immunomodulatory matrix reservoir (AIMR) integrating methylgermanane nanosheets within an active Ca2 +-crosslinked alginate hydrogel within an active Ca2 +-crosslinked alginate hydrogel provides a dual-organelle stress platform for durable photoimmunotherapy.

Phosphorus-iron modified biochar reduces soil salinity and enhances carbon sequestration via calcium-sodium exchange and the reverse stimulation of iron-driven functional microbial taxa.

This study hypothesized that phosphorus-iron (P-Fe) modification improves the pore structure and surface chemical properties of biochar, thereby enhancing its adsorption capacity for salt ions and CO2. When incorporated into saline-alkali soil, this modification improves soil fertility and enriches beneficial microbiot...

The transcription factor CiMYC2 positively regulates terpenoid biosynthesis by activating the expression of CiHMGR and CiTPS4 in Chrysanthemum indicum var. aromaticum.

Chrysanthemum indicum var. aromaticum is a rare aromatic variant, and deciphering its molecular basis could facilitate the breeding of scented chrysanthemums. Here, we introduced its transcription factor CiMYC2 into Chrysanthemum indicum (C. indicum) to investigate the role and mechanism of CiMYC2 in regulating terpeno...

Engineering carboxyl methyltransferase for high-efficiency biosynthesis of methyl salicylate in Escherichia coli.

Methyl salicylate (MeSA) is a volatile methylated aromatic ester widely used in agriculture, food, and pharmaceuticals. Microbial biosynthesis offers a sustainable alternative to plant extraction and petrochemical synthesis; however, efficient MeSA production remains limited by the low catalytic efficiency of carboxyl...

Strong static magnetic field enhances biomass and high-value lipid production in Chlorella pyrenoidosa via metabolic regulation.

trong static magnetic field (SMF) treatment represents a promising physical strategy for regulating microalgal metabolism. This study investigated the effects of SMF on growth and lipid production in Chlorella pyrenoidosa. Results showed that SMF exposure at 3T for 10 min under photoperiodic conditions was optimal, ach...