Chengkun Wu

11PUBLICATIONS
26CO-AUTHORS
Deep learningPharmaceutical delivery technologiesCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designAutomated software engineering
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Publications (11)

|Feb 25, 2026
A Neural Time-Series Learning Method for Accelerating Free-Energy Perturbation and Rare-Event Molecular Dynamics Simulations.

Mengxia Mo, Haiyang Yu, Chengkun Wu

|Nov 06, 2025
A fused deep learning approach to transform drug repositioning.

Kun Li, Jiacai Yi, Qing Ye

|Jul 27, 2025
Evidential deep learning-based drug-target interaction prediction.

Yanpeng Zhao, Yuting Xing, Yixin Zhang

|Aug 24, 2024
DDInter 2.0: an enhanced drug interaction resource with expanded data coverage, new interaction types, and improved user interface.

Yao Tian, Jiacai Yi, Ningning Wang

|May 23, 2024
ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery.

Shaohua Shi, Li Fu, Jiacai Yi

|Apr 11, 2024
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.

Zhe Li, Chengkun Wu, Yishui Li

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Frequent Collaborators

5 joint publications

Dongsheng Cao

4 joint publications

Jiacai Yi

4 joint publications

Tingjun Hou

2 joint publications

Li Fu