Yang Yang
Research Associate NeurosurgeryCards
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Research
Publications
2026
The constrained nuclear–electronic orbital (CNEO) framework for nuclear quantum effects in quantum chemistry and molecular simulations
Chen Z, Yang Y. The constrained nuclear–electronic orbital (CNEO) framework for nuclear quantum effects in quantum chemistry and molecular simulations. APL Computational Physics 2026, 2 DOI: 10.1063/5.0320607.Peer-Reviewed Original ResearchNuclear quantum effectsQuantum chemistry calculationsQuantum mechanical treatmentQuantum effectsMolecular simulationsNuclear-electronicChemistry calculationsMolecular dynamicsEffective potential energy surfaceStudy of photochemical processesHydrogen bond vibrationsAb initio MDPotential energy surfaceExcited-state calculationsZero-point energyElectronic-structure methodsTransition state theoryEmpirical scaling factorNuclei quantumQM/MM schemeSolvation modelNonadiabatic dynamicsEnergy surfaceQuantum delocalizationTunneling correctionSpatial Lipidomics Reveals Region-Specific Lipid Remodeling in Scn2a-Deficient Mouse Brain
Moore A, Chen X, Hernly E, Zhang J, Yang Y, Laskin J. Spatial Lipidomics Reveals Region-Specific Lipid Remodeling in Scn2a-Deficient Mouse Brain. ACS Chemical Neuroscience 2026, 17: 1593-1601. PMID: 41910134, DOI: 10.1021/acschemneuro.6c00199.Peer-Reviewed Original ResearchOvercoming the challenge of preferred particle orientation in cryo-EM
Yang Y, Liu B. Overcoming the challenge of preferred particle orientation in cryo-EM. Nature Reviews Molecular Cell Biology 2026, 27: 337-339. PMID: 41888399, DOI: 10.1038/s41580-026-00962-4.Peer-Reviewed Original ResearchReactive oxygen species–resistant ultrastable super-resolution DNA framework dots
Liang C, Li Q, Chen B, Zhai T, Luo X, Yang Y, Qian J, Zhao D, Luo S, Wang F, Li Q, Shen J, Fan C. Reactive oxygen species–resistant ultrastable super-resolution DNA framework dots. Proceedings Of The National Academy Of Sciences Of The United States Of America 2026, 123: e2514438123. PMID: 41730100, PMCID: PMC12956890, DOI: 10.1073/pnas.2514438123.Peer-Reviewed Original ResearchConceptsStructured illumination microscopySuper-resolution imagingSTED imagingSingle-particleShielding effectivenessDNA frameworkSingle-particle trackingDouble-stranded DNAPhysical propertiesCatalytic applicationsDotsLive cell membranesSpatial resolutionPeptide scaffoldsFluorescent probeBarcodingCell membraneGFPInner cavityFluorophoresSTEDHuman microglia in brain assembloids display region-specific diversity and respond to hyperexcitable neurons carrying SCN2A mutation
Wu J, Chen X, Zhang J, Wettschurack K, Robinson M, Li W, Zhao Y, Yoo Y, Deming B, Shu Y, Abeyaratna A, Que Z, Du D, Tegtmeyer M, Yuan C, Skarnes W, Zhang Z, Rochet J, Wu L, Yang Y. Human microglia in brain assembloids display region-specific diversity and respond to hyperexcitable neurons carrying SCN2A mutation. Science Advances 2026, 12: eady2977. PMID: 41706855, PMCID: PMC12915608, DOI: 10.1126/sciadv.ady2977.Peer-Reviewed Original ResearchConceptsNeuropsychiatric disordersExcessive synaptic pruningPharmacological inhibitionHuman microgliaSubcortical regionsNeural circuitryNeuronal circuit developmentSynaptic pruningNeural circuitsHuman brainSCN2A mutationsNeuronal hyperactivityNeuroimmune interactionsHyperexcitable neuronsSingle-cell RNA sequencingAutismReceptor geneCalcium signalingMicroglial responseCircuit developmentMicrogliaDisordersGABABrainPathological effectsHarmonizing Generalization and Specialization: Uncertainty-Informed Collaborative Learning for Semi-supervised Medical Image Segmentation
Lu W, Hong Y, Yang Y. Harmonizing Generalization and Specialization: Uncertainty-Informed Collaborative Learning for Semi-supervised Medical Image Segmentation. IEEE Transactions On Medical Imaging 2026, PP: 1-1. PMID: 41697810, DOI: 10.1109/tmi.2026.3664940.Peer-Reviewed Original ResearchMedical image segmentationSemi-supervised medical image segmentationImage segmentationPseudo label learningTask-specific representationsTask-specific requirementsLimited annotationsAnnotation requirementsCollaborative learningSemantic representationAmbiguous regionsSupervised performanceLearningClinical tasksAnnotationPrediction uncertaintyUNCOLRepresentationFoundation modelDiverse 2DFine-grainedGeneralizationLarge-scalePerformanceRequirementsFacilitating creep-resistant Al alloy design through a physics-aware integrated machine learning pipeline
Cao Z, Wang X, He G, Li Y, Yang Y, Wang Y, Gao H. Facilitating creep-resistant Al alloy design through a physics-aware integrated machine learning pipeline. Materials Today Communications 2026, 51: 114676. DOI: 10.1016/j.mtcomm.2026.114676.Peer-Reviewed Original ResearchMachine learning pipelineVolume fractionThreshold stressAl alloyLearning pipelineCreep-induced failureDislocation-climb mechanismFeature dimensionality reductionHot-end componentsCast Al alloyLong-term dimensional stabilityHeat-resistant Al alloysCreep threshold stressDownsized enginesKinetic stabilization effectsCylinder headHeterogeneous modalitiesLightweight alloysData miningDimensionality reductionAlloy designBayesian optimizationDimensional stabilityML surrogateModeling burdenAn engineered UGA suppressor tRNA gene for disease-agnostic AAV delivery
Xu M, Liu H, Wang J, Vieira A, Zhou X, Liu N, Liang J, Du A, Chen X, Xing R, Yang Y, Gonzalez-Perez M, Kumar V, Wang D. An engineered UGA suppressor tRNA gene for disease-agnostic AAV delivery. Nature Biotechnology 2026, 1-10. PMID: 41555020, DOI: 10.1038/s41587-025-02982-5.Peer-Reviewed Original ResearchRecombinant adeno-associated virusRAAV vector productionAdeno-associated virusPathogenic nonsense variantIn vivo deliveryC-to-T transitionLysosomal storage disorderAAV deliveryMouse modelPotential therapeutic scopeNonsense variantNonsense mutationTherapeutic approachesTherapeutic effectGenes in vivoNormal levelsSuppressor tRNA geneUGA stop codonStorage disorderSuppressor transfer RNATranscriptional regulatory elementsCGA arginine codonTherapeutic scopeTRNA genesTransfer RNAMechanism of SARS-CoV-2 resistance to nucleotide analog-based antivirals
Liu C, Li Y, Cao X, Gleason R, Liu B, Yang Y. Mechanism of SARS-CoV-2 resistance to nucleotide analog-based antivirals. Nature Communications 2026, 17: 1601. PMID: 41530153, PMCID: PMC12905345, DOI: 10.1038/s41467-026-68304-8.Peer-Reviewed Original ResearchA unifying geometric framework for computational representation of stereoisomers based on mixed product
Shi R, Zhang C, Yu G, Huo X, Yang Y. A unifying geometric framework for computational representation of stereoisomers based on mixed product. Cell Reports Physical Science 2026, 7: 103065. DOI: 10.1016/j.xcrp.2025.103065.Peer-Reviewed Original ResearchStereogenic elementsCahn-Ingold-Prelog rulesCahn-Ingold-PrelogAxial chiralityComplex chiralityHelical chiralityMolecular symmetryMolecular chiralityDegree of chiralityProduct representationChiralityMachine learning modelsDrug discoveryComputational representationGeometric solutionQuantification capabilitiesSpectrum predictionLearning modelsBenchmarking resultsMixing productsQualitative rulesComputational toolsGeometric frameworkStereoisomersQuantitative descriptors
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