Dejun Jiang

Central South University — China

Computer Science · Physical Sciences

24h-index2.6kcitations80works7.32yr avg
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Research Topics

Computational Drug Discovery Methods(49), Machine Learning in Materials Science(26), Protein Structure and Dynamics(22), Chemical Synthesis and Analysis(9), RNA and protein synthesis mechanisms(6)

Publications80 total

Graph-based deep learning approach for high-throughput protein-DNA interaction scoring
Acta Pharmacologica Sinica·2025
A virtual platform for automated hybrid organic-enzymatic synthesis planning
Nature Communications·2025Open Access
A fused deep learning approach to transform drug repositioning
Communications Chemistry·2025Open Access
Improving the predictive performance of binding affinities and poses for protein–cyclic peptide complexes through fine-tuned MM/PBSA(GBSA)-based methods
Briefings in Bioinformatics·2025· 2 citedOpen Access
Residue 301-dependent epitope mapping reveals the molecular basis for GPV/MDPV serotype discrimination by neutralizing monoclonal antibody D1
Veterinary Research·2025Open Access
Development of a duplex LNA-TaqMan real-time quantitative PCR for differential detection of virulent and attenuated strains of Muscovy duck-origin goose parvovirus
Journal of Virological Methods·2025
Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions
Acta Pharmacologica Sinica·2025Open Access
TabPFN Opens New Avenues for Small-Data Tabular Learning in Drug Discovery
2025Open Access
Uncertainty-Aware Deep Learning and Structural Feature Analysis for Reliable Nephrotoxicity Prediction
Journal of Chemical Information and Modeling·2025· 2 cited
PepPCBench is a Comprehensive Benchmarking Framework for Protein–Peptide Complex Structure Prediction
Journal of Chemical Information and Modeling·2025· 6 cited
Protein–peptide docking with a rational and accurate diffusion generative model
Nature Machine Intelligence·2025· 4 cited
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
A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors
Journal of Chemical Information and Modeling·2025
Token-Mol 1.0: tokenized drug design with large language models
Nature Communications·2025· 9 citedOpen Access
PepPCBench is a Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3
2025· 2 citedOpen Access
Comprehensive Evaluation of End-Point Free Energy Methods in DNA–Ligand Interaction Predictions
Journal of Chemical Information and Modeling·2025· 4 cited
TarIKGC: A Target Identification Tool Using Semantics-Enhanced Knowledge Graph Completion with Application to CDK2 Inhibitor Discovery
Journal of Medicinal Chemistry·2025· 3 cited
Decoding the limits of deep learning in molecular docking for drug discovery
Chemical Science·2025· 7 citedOpen Access
Exploring Gene Expression and Alternative Splicing in Duck Embryonic Myoblasts via Full-Length Transcriptome Sequencing
Veterinary Sciences·2024· 1 citedOpen Access
A Fused Deep Learning Approach to Transform Novel Drug Repositioning
2024Open Access
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Frequent Co-authors

Tingjun Hou(39), Chang‐Yu Hsieh(25), Dongsheng Cao(23), Jike Wang(21), Zhenhua Wu(17), Yu Kang(16), Xujun Zhang(14), Hongyan Du(14), Chao Shen(12), Yafeng Deng(11), Xiaorui Wang(10), Odin Zhang(9), Huifeng Zhao(9), Zhe Wang(7), Peichen Pan(7), Zhenxing Wu(7), Ben Liao(6), Lei Xu(6), Ercheng Wang(5), Huiyong Sun(5)