Seuraa
Duc Duy Nguyen
Duc Duy Nguyen
Associate Professor at Department of Mathematics, University of Tennessee, Knoxville
Vahvistettu sähköpostiosoite verkkotunnuksessa utk.edu - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
Algebraic graph-assisted bidirectional transformers for molecular property prediction
D Chen, K Gao, DD Nguyen, X Chen, Y Jiang, GW Wei, F Pan
Nature communications 12 (1), 3521, 2021
2312021
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
2062019
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, 71-82, 2019
1672019
Persistent spectral graph
R Wang, DD Nguyen, GW Wei
International journal for numerical methods in biomedical engineering 36 (9 …, 2020
1262020
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
1222020
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 60 (12), 5682-5698, 2020
1092020
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
1082017
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
1022020
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
992020
MathDL: mathematical deep learning for D3R Grand Challenge 4
DD Nguyen, K Gao, M Wang, GW Wei
Journal of computer-aided molecular design 34, 131-147, 2020
982020
A review of mathematical representations of biomolecular data
DD Nguyen, Z Cang, GW Wei
Physical Chemistry Chemical Physics 22 (8), 4343-4367, 2020
962020
Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning
DD Nguyen, K Gao, J Chen, R Wang, GW Wei
Chemical science 11 (44), 12036-12046, 2020
762020
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
762019
Potentially highly potent drugs for 2019-nCoV
DD Nguyen, K Gao, J Chen, R Wang, GW Wei
BioRxiv, 2020.02. 05.936013, 2020
622020
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
482017
Machine intelligence design of 2019-nCoV drugs
K Gao, DD Nguyen, R Wang, GW Wei
BioRxiv, 2020
472020
Review of COVID-19 antibody therapies
J Chen, K Gao, R Wang, DD Nguyen, GW Wei
Annual review of biophysics 50 (1), 1-30, 2021
422021
System and methods for machine learning for drug design and discovery
G Wei, D Nguyen, Z Cang
US Patent App. 16/372,239, 2019
392019
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, 1-22, 2017
392017
Generalized flexibility-rigidity index
DD Nguyen, K Xia, GW Wei
The Journal of chemical physics 144 (23), 2016
372016
Järjestelmä ei voi suorittaa toimenpidettä nyt. Yritä myöhemmin uudelleen.
Artikkelit 1–20