The prediction of mechanical properties at the molecular scale relies on matrix-based approaches, such as the diagonalization of large Hessian matrices in elastic network models (ENMs) or molecular dynamics (MD) simulations. These methods exhibit O(N3) computational complexity and map molecular connectivity to macrosco...
Martina Canet, Yamila García, Yamila GarcÍa-MartÍnez Eyre· ChemRxiv· 0 citations
Generative AI has driven remarkable breakthroughs in protein design, enabling the rapid, computationally guided creation of high-affinity binders against diverse targets. While remarkable experimental success has been demonstrated, the confidence metrics used to filter and evaluate designs remain optimized for static p...
Jakob R. Riccabona, Katharina T. Stonig, J. Meiler et al.· FEBS Letters· 0 citations
Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic contaminants formed endogenously
during high-temperature processing of protein-rich foods. This investigation evaluated the
occurrence and dietary risk associated with four priority PAHs — benzo[a]pyrene (BaP), chrysene
(Chr), benz[a]anthracene (BaA) and benzo...
Jimah Abdulrahman· RESEARCH JOURNAL OF FOOD SCI...· 0 citations
The rapid advancement of AI has greatly boosted the efficiency of large‐scale lead compound screening, especially for proteins without resolved 3D structures in the PDB. However, current large structure databases cannot support efficient large‐scale screening within drug R&D cycles. Here, we propose a multistrategy c...
Ning-Yao Li, Xue-Yi Liu, Qiu-Yue Li et al.· Advanced Intelligent Discove...· 0 citations
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Overall, trimebutine targets lung CSC populations by disrupting GPCR–ion channel–Hippo signaling crosstalk, providing a strong preclinical rationale for trimebutine–cisplatin combination strategies to overcome drug resistance and recurrence in lung cancer.
Jihye Seo, Heejin Lee, Dong Kyu Choi et al.· International Journal of Mol...· 0 citations
The Membrane-Associated Proteins in Eicosanoid and Glutathione metabolism (MAPEG) superfamily comprises integral membrane proteins involved in lipid metabolism, detoxification, and redox regulation. While extensively characterised in eukaryotes, bacterial MAPEG homologs remain poorly understood. In this study, we condu...
L. Federici, M. Masulli, V. De Laurenzi et al.· Current Issues in Molecular...· 0 citations
Escherichia coli
-based expression systems are extensively utilized for recombinant protein production due to their simplicity, cost-effectiveness, and scalability. However, they often face challenges including leaky expression, codon bias, and poor solubility. Various strategies have been developed to address t...
Y. Chen, Jia-Lin Luo, Han Li et al.· Applied Microbiology and Bio...· 0 citations
To characterize non-linear associations between inflammatory biomarkers and
Mycoplasma pneumoniae
–associated necrotizing pneumonia (MPNP) in children using restricted cubic spline (RCS) analysis, and to develop a predictive nomogram.
We retrospectively analyzed 319 children hospitalized for
Mycopla...
Jia-Feng Zheng, Meng-Yao Zhang, Han-Quan Dong et al.· Frontiers in Pediatrics· 0 citations
This work defines the contacts that maintain WDR44 in its closed conformation and provides a mechanism by which pathogenic mutations may alter WDR44 function, which explains how disease-causing mutations activate WDR44, and defines the surfaces through which its functions are likely regulated.
Hailey Eng, Michael Davey, E. Conibear· bioRxiv· 0 citations
Nuclear pore complexes (NPCs) are the gateways for macromolecular exchange between the nucleus and cytoplasm. Although NPC architecture is broadly conserved across eukaryotes, substantial lineage-specific diversification has emerged, particularly among divergent protists. Here, we investigated the NPC of Entamoeba hist...
Huda Amilina, Herbert J. Santos, Kenichiro Imai et al.· bioRxiv (Cold Spring Harbor...· 0 citations
Figure S1. Determination of NAC treatment concentration and subcellular localization analysis of SBP. Survival rates of Hep-2 (A) cell after 2 h treatment with different concentrations of NAC, with untreated cells as controls. Western blot analysis of MUC5AC expression in Hep-2 (B) cell after 2 h treatment with serial...
Antibiotic resistance is a growing problem in the medical field, which requires the development of alternative medicines to treat patients with bacterial infections. Bacteriophage endolysin proteins such as N74 have been shown to target Bacillus cereus as well as Bacillus anthracis (anthrax). This study aims to charact...
Emily Costello, Nathalie Rodriguez, Ravindu Gunasekara· Digital Repository at the Un...· 0 citations
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.
