Results 101 to 110 of about 6,104,936 (275)

Topological Fusion Model for Molecular Property Prediction

Applied Intelligence
Abstract The prominence of 3D molecular property prediction arises from its ability to provide insights into the drug discovery and design, material science and chemical synthesis. Transformer-based models have been widely adopted to autonomously learn long-range atom-to-atom interactions on a global scale, resulting in significant success ...
Xia Rong, Haotian Xu, Junwei Wu 0001, Zhang Shufei, Mingjie Sun, Jiejie Liu, Quan Zhang   +6 more
openaire   +1 more source

The microbiome in human skin aging

FEBS Letters, EarlyView.
Age‐related skin changes encompass the well‐known visible phenotypic alterations, together with microbiome dysbiosis and a series of molecular aging hallmarks. These hallmarks characterize not only a fully stablished aged phenotype but also the skin aging process itself.
Manuel Huerta Arana, Cornelia Wiegand, Omid Omrani, Mario Fabri   +3 more
wiley   +1 more source

Autophagy and mitophagy in pancreatic β‐cell homeostasis and their involvement in diabetes pathophysiology

FEBS Letters, EarlyView.
This review focuses on the role of autophagy and mitophagy in maintaining pancreatic β‐cell function and homeostasis. We discuss how genetic defects affecting these pathways contribute to the development of type 1, type 2, monogenic, and gestational diabetes. We further explore their potential as therapeutic targets. Created in BioRender.
Yunkyeong Lee, Mingming Tong, Anna L. Gloyn   +2 more
wiley   +1 more source

Partial depletion of plasminogen activator inhibitor‐1 decreases subcutaneous fat cell hypertrophy and liver cholesterol in high‐fat‐fed female mice

FEBS Letters, EarlyView.
Obesity raises blood levels of PAI‐1, a protein linked to metabolic dysfunction‐associated steatotic liver disease in people with obesity. In female mice fed a high‐fat diet, partially lowering PAI‐1 led to smaller subcutaneous fat cells and lower liver cholesterol, without changing body weight or insulin sensitivity.
Claudia E. Ramirez Bustamante, Robert Sharp, Pradip K. Saha, Elizabeth S. Anaya, Elizabeth L. Lieu, Evelyn L. de Groot, Pooja Patel, Mi Jeong Heo, Aaron R. Cox, Kang Ho Kim, Sean M. Hartig   +10 more
wiley   +1 more source

Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry

FEBS Letters, EarlyView.
EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri, Ayaka Nagasato‐Ichikawa, Keita Iida, Shuhei Kimura, Akira Imamoto, Mariko Okada   +5 more
wiley   +1 more source

Emerging experimental and computational methods for studying redox‐regulated structural transitions

FEBS Letters, EarlyView.
Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass, Dana Reichmann, Gábor Erdős   +2 more
wiley   +1 more source

LG-Transformer: learned-graph transformer framework enabling diverse physicochemical properties prediction toward fuel design

Nature Communications
Green fuels are essential for decarbonizing transportation sectors, requiring accurate prediction of different physicochemical properties to optimize engine performance and emissions.
Jiabo Zhang, Xiang Lv, Hui An, Jing Li, Peng Han, Zhen Huang   +5 more
doaj   +1 more source

‘Guide and Prejudice’— How Argonautes recognize targets across domains of life

FEBS Letters, EarlyView.
Argonaute proteins use short nucleic‐acid guides to locate and regulate specific targets across all domains of life. Despite striking diversity—from human gene silencing to bacterial immune defence—all Argonautes share a conserved three‐stage recognition logic: guide‐directed sampling, progressive target pairing with a conformational checkpoint and ...
Jack P. K. Bravo
wiley   +1 more source

Multimodal Contrast-Enhanced Molecular Representation Learning and Property Prediction

Biophysica
Molecular representation learning (MRL) has garnered significant attention due to its pivotal role in downstream applications such as molecular property prediction and drug discovery.
Hong Luo, Jie He, Zhichao Liu, Chen Zeng
doaj   +1 more source

Molecular Property Prediction

Molecular property prediction is the task of predicting the properties of a molecule from its structure. Molecular property prediction based on computational chemistry can help predict several molecular properties and is important for scientific research and material discovery. important for scientific research and material discovery. CD ComputaBio can
openaire   +2 more sources