Dong‐Qing Wei

Highly Drug-Resistant Escherichia coli from Hospital Wastewater with Several Evolutionary Mutations: An Integrated Insights from Molecular, Computational, and Biophysics.

Design of permeability-optimized target-binding macrocycles <i>via</i> direct preference optimization.

A Biologically Informed Vision-Guided Framework for Interpretable T Cell Receptor-Epitope Binding Prediction.

High-temperature superconductivity in Li ₂ YH ₆ driven by Li doping and a specific hydrogen-cage structure under high pressures

RNASTOP: A Deep Learning Framework for mRNA Chemical Stability Prediction and Optimization

GRATCR: Epitope-Specific T Cell Receptor Sequence Generation With Data-Efficient Pre-Trained Models.

Enhancing Drug Synergy Combination: Integrating Graph Transformers and BiLSTM for Accurate Drug Synergy Prediction

scCobra allows contrastive cell embedding learning with domain adaptation for single cell data integration and harmonization.

Design of environmentally degradable polyethylene-like polyesters and eco-friendly recycling <i>via</i> commercial enzymes

HIV OctaScanner: A Machine Learning Approach to Unveil Proteolytic Cleavage Dynamics in HIV-1 Protease Substrates.

Discovery of anti-Ebola virus multi-target inhibitors from traditional Chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations.

Vancomycin-bacterial imprinted polymer hybrid for viable Staphylococcus aureus highly efficient capture, photothermal inactivation, and sensitive detection.

CMedRAGBot: A Chinese Medical Chatbot Based on Graph RAG and Large Language Models.

Integrative approaches to m6A and m5C RNA modifications in autism spectrum disorder revealing potential causal variants.

Identification of Novel Drug Molecules Against NS3-Like Helicase Enzyme of Alongshan Virus.

Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations.

Advancing Enzyme-Based Detoxification Prediction with ToxZyme: An Ensemble Machine Learning Approach.

Dynamics understanding of novel solvated drug molecules against emerging &lt;i&gt;Burkholderia Cepacia&lt;/i&gt; infections in immunocompromised patients.

Towards interpretable drug interaction prediction &lt;i&gt;via&lt;/i&gt; dual-stage attention and Bayesian calibration with active learning.

ESM2_AMP: an interpretable framework for protein-protein interactions prediction and biological mechanism discovery.

Exploring the Dynamic Interplay of Deleterious Variants on the RAF1-RAP1A Binding in Cancer: Conformational Analysis, Binding Free Energy, and Essential Dynamics.

Elucidating the resistance mechanisms and binding pattern of novel Oxa-48-like carbapenemases covalent inhibitors: A hybrid experimental and in silico approach

Streptococcus suis employs the Ihk/Irr-PepO axis to subvert macrophage actin polymerization: A novel anti-phagocytic strategy enhancing bacterial virulence

Top 10 Research Advances in Artificial Intelligence and Biomedical Science (2025).

ABP-Xplorer: A Machine Learning Approach for Prediction of Antibacterial Peptides Targeting &lt;i&gt;Mycobacterium abscessus&lt;/i&gt;-tRNA-Methyltransferase (TrmD).

The Construction of a Molecular Model for the Ternary Protein Complex of Intrinsic Coagulation Pathway Factors Provides Novel Insights for the Pathogenesis of Cross-Reactive Material Positive Coagulation Factor Mutations.

WGX-50 Promotes Healthy Ageing in Caenorhabditis elegans: A Combined Computational and Experimental Study.

Towards precision epitopes based vaccine against &lt;i&gt;Enterococcus faecalis&lt;/i&gt; by integrating vaccinomics, reverse vaccinology and biophysics approaches.

AI Prediction of Structural Stability of Nanoproteins Based on Structures and Residue Properties by Mean Pooled Dual Graph Convolutional Network.

The Key Flavor Substance in &lt;i&gt;Zanthoxylum&lt;/i&gt; Preventing Alzheimer's Disease through Insulin Signaling.