Ying Xia

Leveraging Scaffold Information to Predict Protein-ligand Binding Affinity with an Empirical Graph Neural Network

Hongbin Shen, Xiaoyong Pan, Chun-Qiu Xia, 2022, bioRxiv.

BindWeb: A web server for ligand binding residue and pocket prediction from protein structures

Hongbin Shen, Xiaoyong Pan, Chun-Qiu Xia, 2022, Protein science : a publication of the Protein Society.

Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex.

Zoë A. E. Waller, F. Gervasio, A. Mulholland, 2022, Journal of the American Chemical Society.

LigBind: identifying binding residues for over 1000 ligands with relation-aware graph neural networks.

Hongbin Shen, Xiaoyong Pan, Ying Xia, 2023, Journal of molecular biology.

GraphBind: protein structural context embedded rules learned by hierarchical graph neural networks for recognizing nucleic-acid-binding residues

Hongbin Shen, Xiaoyong Pan, Chun-Qiu Xia, 2021, Nucleic acids research.

Fast protein structure comparison through effective representation learning with contrastive graph neural networks

Hongbin Shen, Xiaoyong Pan, Chun-Qiu Xia, 2022, PLoS Comput. Biol..

Heterogeneous sampled subgraph neural networks with knowledge distillation to enhance double-blind compound-protein interaction prediction.

Ying Xia, Xiaoyong Pan, Hong-Bin Shen, 2024, Structure.

ZeroBind: a protein-specific zero-shot predictor with subgraph matching for drug-target interactions

Ying Xia, Xiaoyong Pan, Hong-Bin Shen, 2023, Nature communications.