Duc Duy Nguyen
Duc Duy Nguyen
Assistant Professor at Department of Mathematics, University of Kentucky
Verified email at crimson.ua.edu - Homepage
Title
Cited by
Cited by
Year
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R grand challenges
DD Nguyen, Z Cang, K Wu, M Wang, Y Cao, GW Wei
Journal of computer-aided molecular design 33 (1), 71-82, 2019
632019
AGL-Score: Algebraic Graph Learning Score for Protein–Ligand Binding Scoring, Ranking, Docking, and Screening
DD Nguyen, GW Wei
Journal of chemical information and modeling 59 (7), 3291-3304, 2019
442019
Rigidity Strengthening: A Mechanism for Protein–Ligand Binding
DD Nguyen, T Xiao, M Wang, GW Wei
Journal of Chemical Information and Modeling 57 (7), 1715-1721, 2017
412017
Potentially highly potent drugs for 2019-nCoV
D Nguyen, K Gao, J Chen, R Wang, G Wei
bioRxiv, 2020
342020
Repositioning of 8565 existing drugs for COVID-19
K Gao, DD Nguyen, J Chen, R Wang, GW Wei
The journal of physical chemistry letters 11 (13), 5373-5382, 2020
312020
Mathdl: Mathematical deep learning for d3r grand challenge 4
DD Nguyen, K Gao, M Wang, GW Wei
Journal of computer-aided molecular design 34 (2), 131-147, 2020
302020
DG‐GL: Differential geometry‐based geometric learning of molecular datasets
DD Nguyen, GW Wei
International journal for numerical methods in biomedical engineering 35 (3†…, 2019
272019
Feature functional theory–binding predictor (FFT–BP) for the blind prediction of binding free energies
B Wang, Z Zhao, DD Nguyen, GW Wei
Theoretical Chemistry Accounts 136 (4), 55, 2017
272017
Generalized flexibility-rigidity index
DD Nguyen, K Xia, GW Wei
The Journal of Chemical Physics 144 (23), 234106, 2016
272016
Machine intelligence design of 2019-nCoV drugs
K Gao, DD Nguyen, R Wang, GW Wei
bioRxiv, 2020
232020
A review of mathematical representations of biomolecular data
DD Nguyen, Z Cang, GW Wei
Physical Chemistry Chemical Physics 22 (8), 4343-4367, 2020
232020
Accurate, robust, and reliable calculations of Poisson–Boltzmann binding energies
DD Nguyen, B Wang, GW Wei
Journal of Computational Chemistry 38 (13), 941-948, 2017
182017
Time-domain numerical solutions of Maxwell interface problems with discontinuous electromagnetic waves
Y Zhang, DD Nguyen, K Du, J Xu, S Zhao
Advances in Applied Mathematics and Mechanics 8 (3), 353-385, 2016
172016
Boosting tree-assisted multitask deep learning for small scientific datasets
J Jiang, R Wang, M Wang, K Gao, DD Nguyen, GW Wei
Journal of Chemical Information and Modeling 60 (3), 1235-1244, 2020
142020
Are 2D fingerprints still valuable for drug discovery?
K Gao, DD Nguyen, V Sresht, AM Mathiowetz, M Tu, GW Wei
Physical Chemistry Chemical Physics 22 (16), 8373-8390, 2020
142020
Preservation of the discrete geostrophic equilibrium in shallow water flows
E Audusse, R Klein, DD Nguyen, S Vater
Finite Volumes for Complex Applications VI Problems & Perspectives, 59-67, 2011
132011
Generative network complex (GNC) for drug discovery
C Grow, K Gao, DD Nguyen, GW Wei
arXiv preprint arXiv:1910.14650, 2019
122019
Persistent spectral graph
R Wang, DD Nguyen, GW Wei
International journal for numerical methods in biomedical engineering 36 (9†…, 2020
112020
A second order dispersive FDTD algorithm for transverse electric Maxwell’s equations with complex interfaces
DD Nguyen, S Zhao
Computers & Mathematics with Applications 71 (4), 1010-1035, 2016
102016
Generative network complex for the automated generation of drug-like molecules
K Gao, DD Nguyen, M Tu, GW Wei
Journal of Chemical Information and Modeling, 2020
92020
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