Duc Nguyen | Publications

Miscellaneous

#	Journal	Year	Status
3	Math and AI-based Repositioning of Existing Drugs for COVID-19 Duc Nguyen and Guowei Wei SIAM News SIAM News May 2020	2020	Published
2	SYSTEM AND METHODS FOR MACHINE LEARNING FOR DRUG DESIGN AND DISCOVERY Guowei Wei, Duc Nguyen, and Zixuan Cang PATENT US 2019 / 0304568 A1	2019	Published
1	High order FDTD methods for electromagnetic systems in dispersive inhomogeneous media Duc Nguyen Dissertation ir.ua.edu/handle/123456789/3017	2015	Published

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Published Papers

#	Journal	Year	Status
34	The algebraic extended atom-type graph-based model for precise ligand–receptor binding affinity prediction Farjana Tasnim Mukta, Md Masud Rana, Avery Meyer, Sally Ellingson, and Duc D. Nguyen Journal of Cheminformatics DOI: 10.1186/s13321-025-00955-z	2025	Published
33	A Combined Computational and Experimental Approach to Studying Tropomyosin Kinase Receptor B Binders for Potential Treatment of Neurodegenerative Diseases Duc D. Nguyen, Shomit Mansur , Lukasz Ciesla, Nora E. Gray, Shan Zhao, and Yuping Bao Molecules DOI: 10.3390/molecules29173992	2024	Published
32	Orthogonal Gated Recurrent Unit With Neumann-Cayley Transformation Vasily Zadorozhnyy, Edison Mucllari, Cole Pospisil, Duc Nguyen, and Qiang Ye Neural Computation DOI: 10.1162/neco_a_01710	2024	Published
31	Geometric Graph Learning to Predict Changes in Binding Free Energy and Protein Thermodynamic Stability upon Mutation Md Masud Rana and Duc Duy Nguyen The Journal of Physical Chemistry Letters DOI: 10.1021/acs.jpclett.3c02679	2023	Published
30	Geometric Graph Learning with Extended Atom–Types for Protein–Ligand Binding Affinity Prediction Md Masud Rana and Duc Duy Nguye Computers in Biology and Medicine DOI: 10.1016/j.compbiomed.2023.107250	2023	Published
29	Novel Molecular Representations using Neumann-Cayley Orthogonal Gated Recurrent Unit Edison Mucllari, Vasily Zadorozhnyy, Qiang Ye, and Duc Duy Nguyen Journal of Chemical Information and Modeling DOI: 10.1021/acs.jcim.2c01526	2023	Published
28	Multiscale laplacian learning Ekaterina Merkurjev, Duc Duy Nguyen, and Guo-Wei Wei Applied Intelligence DOI: 10.1007/s10489-022-04333-2	2022	Published
27	EISA-Score: Element Interactive Surface Area Score for Protein–Ligand Binding Affinity Prediction Md Masud Rana and Duc Duy Nguyen Journal of Chemical Information and Modeling DOI: 10.1021/acs.jcim.2c00697	2022	Published
26	AweGNN: Auto-parametrized weighted element-specific graph neural networks for molecules Timothy Szocinskia, Duc Duy Nguyen, and Guo-Wei Wei Computers in Biology and Medicine DOI: 10.1016/j.compbiomed.2021.104460	2021	Published
25	Algebraic graph-assisted bidirectional transformers for molecular property prediction Dong Chen, Kaifu Gao, Duc Duy Nguyen, Xin Chen, Yi Jiang, Guo-Wei Wei, and Feng Pan Nature Communications DOI: 10.1038/s41467-021-23720-w	2021	Published

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Submitted Papers

#	Journal	Year	Status
3	Potentially highly potent drugs for 2019-nCoV Duc D. Nguyen, Kaifu Gao, Jiahui Chen, Rui Wang, and Guowei Wei N/A 10.1101/2020.02.05.936013	2020	Submitted
2	Machine intelligence design of 2019-nCoV drugs Kaifu Gao, Duc D. Nguyen, Rui Wang, and Guowei Wei N/A 10.1101/2020.01.30.927889	2020	Submitted
1	GNC2: Generation and Prediction of Druglike Molecules Kaifu Gao, Duc D. Nguyen, and Guowei Wei N/A	2020	Submitted

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