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Featured Publications

DeepDrugDiscovery identifies blood–brain barrier permeable autophagy enhancers for Alzheimer’s disease

DeepDrugDiscovery identifies blood–brain barrier permeable autophagy enhancers for Alzheimer’s disease

发表年份: 2026

影响因子: 29.2

Pre-Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

Pre-Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

发表年份: 2022

影响因子: 17.5

Rethinking Explaining Graph Neural Networks via Non-parametric Subgraph Matching

Rethinking Explaining Graph Neural Networks via Non-parametric Subgraph Matching

发表年份: 2023

影响因子: CCF A

Pharmacophoric-constrained heterogeneous graph transformer model for molecular property prediction

Pharmacophoric-constrained heterogeneous graph transformer model for molecular property prediction

发表年份: 2023

影响因子: 7.2

HeTDR: Drug repositioning based on heterogeneous networks and text mining

HeTDR: Drug repositioning based on heterogeneous networks and text mining

发表年份: 2022

影响因子: 6.5

Learning spatial structures of proteins improves protein–protein interaction prediction

Learning spatial structures of proteins improves protein–protein interaction prediction

发表年份: 2021

影响因子: 14.0

Flexibility-Aware Geometric Latent Diffusion for Full-Atom Peptide Design

Flexibility-Aware Geometric Latent Diffusion for Full-Atom Peptide Design

发表年份: 2026

影响因子: CCF A

AI-Driven discovery of brain-penetrant mTOR-independent autophagy enhancers for Alzheimer’s disease

AI-Driven discovery of brain-penetrant mTOR-independent autophagy enhancers for Alzheimer’s disease

发表年份: 2026

影响因子: 14.3

In silico modeling of targeted protein degradation

In silico modeling of targeted protein degradation

发表年份: 2025

影响因子: 5.9

Artificial intelligence in drug development for delirium and Alzheimer’s disease

Artificial intelligence in drug development for delirium and Alzheimer’s disease

发表年份: 2025

影响因子: 14.6

Adaptive symmetry-based adversarial perturbation augmentation for molecular graph representations with dual-fusion attention information

Adaptive symmetry-based adversarial perturbation augmentation for molecular graph representations with dual-fusion attention information

发表年份: 2025

影响因子: 15.5

NAD+ reverses Alzheimer’s neurological deficits via regulating differential alternative RNA splicing of EVA1C

NAD+ reverses Alzheimer’s neurological deficits via regulating differential alternative RNA splicing of EVA1C

发表年份: 2025

影响因子: 12.5

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