protein folding

Comparative profiling of osimertinib and fourth-generation EGFR inhibitors on EGFR-mutant proteins and cell lines

Osimertinib is a third-generation, irreversible EGFR inhibitor that targets common activating EGFR mutations (ex19del and L858R) and the resistance EGFR mutation T790M. Clinical resistance to osimertinib frequently arises through the EGFR C797S mutation, which has driven the development of fourth-generation EGFR in...

Supplementary Figure 1 from FGFR1 Suppresses STING-Mediated Interferon Response in Endocrine Therapy–Resistant Breast Cancer

A) Western blot shows FGFR1 protein levels in P-T47D and TR-T47D cells. GAPDH as loading control. (B–C) Relative expression of FGFR1 and STING1 respectively, in P-T47D and TR-T47D cells, measured by RT-qPCR and normalized to ACTB and RPLP1. Fold change was calculated relative to the geometric mean of ΔCq of the P-T47D...

Supporting data for Mechanistic insights into Cas13 cleavage and the development of RNA segment editing

Since its discovery in 2016, the RNA-targeting CRISPR-Cas13 protein is widely adopted for precise knockdown of target RNAs in human cells. However, conflicting reports from different groups over the years raised questions about the specificity of Cas13 knockdown. The ambiguity largely stems from the fact that the exact...

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...

Data and code for: Deduplication reshapes the perceived family composition of mobilized colistin resistance (mcr) genes - a curated census, phylogeny and classification audit

Curated dataset and analysis code for a deduplicated census of the mobilized colistin resistance (mcr) gene family in the August 2026 NCBI snapshot (AMRFinderPlus Reference Gene Catalog 2026-08-07.1). Contents. Four archives: (1) core curated datasets (1,298 → 1,106 records, 454 unique proteins, 284-protein QC-triage c...

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

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. GC-2 spermatocytes received 1000 shock-wave pulses then 100°C for 40 s, and C57BL/6 mice received a 10% methane blast with intratesticular te...

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.