Graph neural networks for predicting metal-ligand coordination of transition metal complexes. [PDF]
Proc Natl Acad Sci U S AToney JW +4 more
europepmc +1 more source
Size‐Modulated Mesoderm‐Endoderm Divergence and Myocardial Cavitation in Micropatterned Cardioids
Advanced Science, EarlyView.Micropatterned cardioids, CRISPR‐engineered reporter hiPSCs, deep‐tissue imaging, and single‐cell RNA sequencing are integrated to model mesoderm‐endoderm co‐development. Heart‐foregut crosstalk promotes single large cavitation inside cardioids, resembling early heart chamber formation. ABSTRACT The human heart, originating from the splanchnic mesoderm,
Plansky Hoang +12 more
wiley +1 more source
A channel water temperature prediction method based on transfer learning and spatial-temporal graph neural networks. [PDF]
Sci RepLu H, Tian Y, Weng P, Qiao Y.
europepmc +1 more source
De Novo Multi‐Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning
Advanced Science, EarlyView.Current AI‐driven peptide discovery often overlooks complex structural data. This study presents M3‐CAD, a generative pipeline that leverages 3D voxel coloring and a massive database of over 12 000 peptides to capture nuanced physicochemical contexts.
Xiaojuan Li +23 more
wiley +1 more source
Enhanced spatial clustering of single-molecule localizations with graph neural networks. [PDF]
Nat CommunPineda J +6 more
europepmc +1 more source
Embedded CRISPRi Enhances Gene‐Silencing Efficiency in Drosophila
Advanced Science, EarlyView.Current CRISPR interference (CRISPRi) technology in Drosophila has limited efficiency. This study introduces the emCRISPRi platform, which significantly enhances transcriptional silencing efficacy by embedding inhibitory domains within the dCas9 architecture.
Pengchong Fu +7 more
wiley +1 more source
Heterogeneous graph neural networks reveal molecular mechanisms of folate deficiency in placental insufficiency through multiomics integration. [PDF]
Sci RepXie X, Li Z, Xiao Q, Xiong H, Yuan M.
europepmc +1 more source
Advanced Science, EarlyView.This work introduces an open‐source all‐optical platform for functional phenotyping of human stem cell‐derived neurons. The system integrates optogenetics, calcium imaging, automated acquisition, and analysis to resolve single‐cell and network activity, enabling longitudinal measurements, disease modeling, and pharmacological screening in preclinical ...
Wardiya Afshar‐Saber +12 more
wiley +1 more source
Pose ensemble graph neural networks to improve docking performances. [PDF]
Chem SciThaingtamtanha T, Preto J, Gentile F.
europepmc +1 more source
A Tac1‐Expressing Brainstem Pathway Underlies the Pathogenesis of Trigeminal Neuralgia
Advanced Science, EarlyView.A critical TG‐Sp5CTac1‐PBNTac1 pathway drives trigeminal neuropathic pain (TNP). Tac1‐expressing parabrachial nucleus (PBNTac1) neurons exhibit heightened responses to innocuous stimuli in TNP, and chemogenetic inhibition of these neurons effectively prevents TNP development.
Liting Sun +11 more
wiley +1 more source