Dongsheng Cao

Central South University — China

Computer Science · Physical Sciences

67h-index20.1kcitations328works18.52yr avg
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Research Topics

Computational Drug Discovery Methods(192), Machine Learning in Materials Science(63), Metabolomics and Mass Spectrometry Studies(42), Protein Structure and Dynamics(38), Spectroscopy and Chemometric Analyses(37)

Publications327 total

DeepDR: an integrated deep-learning model web server for drug repositioning
arXiv (Cornell University)·2025Open Access
A fused deep learning approach to transform drug repositioning
Communications Chemistry·2025Open Access
Advancements in Large Language Models ( <scp>LLMs</scp> ): Empowering Drug Discovery
Wiley Interdisciplinary Reviews Computational Molecular Science·2025
MicroEnvPPI: Microenvironment-Aware Optimization Enables Generalizable Protein–Protein Interaction Prediction
Journal of Chemical Information and Modeling·2025
Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions
Acta Pharmacologica Sinica·2025Open Access
Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph view
Nature Communications·2025· 1 citedOpen Access
TabPFN Opens New Avenues for Small-Data Tabular Learning in Drug Discovery
2025Open Access
Heterointerface-engineered electron-bridge in hollow carbon nanotube-anchored Fe <sub>2</sub> P/FeCoP electrocatalyst for highly stable Zn–air batteries
Nano Research·2025Open Access
Serine/Threonine Kinase 33 as a Novel Target of Bufalin in Treatment of Triple‐Negative Breast Cancer
Advanced Science·2025· 1 citedOpen Access
Chinese jujube: a nutritious fruit from China to Europe
Acta Horticulturae·2025
GRAPE: graph-regularized protein language modeling unlocks TCR-epitope binding specificity
Briefings in Bioinformatics·2025· 4 citedOpen Access
Harnessing artificial intelligence to identify Bufalin as a molecular glue degrader of estrogen receptor alpha
Nature Communications·2025· 7 citedOpen Access
Uncertainty-Aware Deep Learning and Structural Feature Analysis for Reliable Nephrotoxicity Prediction
Journal of Chemical Information and Modeling·2025· 2 cited
Deep learning model enables the discovery of a novel BET inhibitor YD-851
Biomedicine & Pharmacotherapy·2025Open Access
WITHDRAWN: Anti-Hepatocellular Carcinoma effect of Pien-Tze-Huang via multi-target regulation of PI3K/Akt Pathway inducing cell cycle arrest: from computational prediction to experimental validation
Pharmacological Research - Modern Chinese Medicine·2025Open Access
Pushing the boundaries of few-shot learning for low-data drug discovery with a Bayesian meta-learning hypernetwork framework
Briefings in Bioinformatics·2025· 1 citedOpen Access
Eupatilin attenuates vemurafenib resistance through inhibition of ABCB1 in melanoma
Journal of Dermatological Science·2025· 1 cited
Interfacial hydrogen bonding reorganization-assisted aqueous assembly of hydroxypropyl cellulose for robust construction of hollow nanocapsules
International Journal of Biological Macromolecules·2025· 2 cited
Leveraging explainable multi-scale features for fine-grained circRNA-miRNA interaction prediction
BMC Biology·2025· 1 citedOpen Access
HMAMP: Designing Highly Potent Antimicrobial Peptides Using a Hypervolume-Driven Multiobjective Deep Generative Model
Journal of Medicinal Chemistry·2025· 9 cited
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Frequent Co-authors

Tingjun Hou(22), Yi‐Zeng Liang(13), Zhenhua Wu(11), Chang‐Yu Hsieh(10), Hong‐Dong Li(9), Zhe Wang(9), Aiping Lü(8), Qing‐Song Xu(8), Dejun Jiang(8), Qing‐Song Xu(8), Ningning Wang(7), Jike Wang(7), Jie Dong(6), Chao Shen(6), Yong‐Huan Yun(6), Zhi‐Jiang Yao(5), Minfeng Zhu(5), Alex F. Chen(5), Yu Kang(5), Gaoqi Weng(5)