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Zhiqi Xie

dblp:344/7469 · DBLP profile ↗
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2ranked-venue papers
2as first author
2since 2021 · last 2025
0009-0002-0570-6558ORCID · corroborated

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 2 · 2 first-author · 2 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 50% Computational science and engineering · 50%

Topics — the 2 heaviest of 2, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Computational science and engineering › graph learning
graph neural network
0.912025
EM-PLA: environment-aware heterogeneous graph-based multimodal protein-ligand binding affinity prediction · Bioinform. 2025
Bioinformatics and computational biology › molecular property prediction
protein-ligand binding affinity prediction
0.912025
EM-PLA: environment-aware heterogeneous graph-based multimodal protein-ligand binding affinity prediction · Bioinform. 2025

Methods — techniques the papers use, named apart from their topics

multimodal data · 0.9heterogeneous graph neural network · 0.9environment-aware learning · 0.9
YearPublicationVenuePosition
2025 CroMamba-DTA: Cross-Mamba for Drug-Target Binding Affinity Prediction
Zhiqi Xie, Zipeng Fan, Peng Zhang 0002, Qianxi Lin
ICIC (25)1
2025 EM-PLA: environment-aware heterogeneous graph-based multimodal protein-ligand binding affinity prediction
abstract
MOTIVATION: Predicting protein-ligand binding affinity accurately and quickly is a major challenge in drug discovery. Recent advancements suggest that deep learning-based computational methods can effectively quantify binding affinity, making them a promising alternative. Environmental factors significantly influence the interactions between protein pockets and ligands, affecting the binding strength. However, many existing deep learning approaches tend to overlook these environmental effects, focusing instead on extracting features from proteins and ligands based solely on their sequences or structures. RESULTS: We propose a deep learning method, EM-PLA, which is based on an environment-aware heterogeneous graph neural network and utilizes multimodal data. This method improves protein-ligand binding affinity prediction by incorporating environmental information derived from the biochemical properties of proteins and ligands. Specifically, EM-PLA employs a heterogeneous graph neural network (HGT) with environmental information to improve the calculation of non-covalent interactions, while also considering the interaction calculations between protein sequences and ligand sequences. We evaluate the performance of the proposed EM-PLA through comprehensive benchmark experiments for binding affinity prediction, demonstrating its superior performance and generalization capability compared to state-of-the-art baseline methods. Furthermore, by analyzing the results of the ablation experiments and integrating visual analyses and case studies, we validate the rationale of the proposed method. These results indicate that EM-PLA is an effective method for binding affinity prediction and may provide valuable insights for future applications. AVAILABILITY AND IMPLEMENTATION: The source code is available at https://github.com/littlemou22/EM-PLA.
Zhiqi Xie, Peng Zhang 0002, Zipeng Fan, Qingpeng Zhang, Qianxi Lin
Bioinform.1