145 citations · 317 across the 24 of their papers we have counts for
Showing 2018Show all
3 papers · 1 filter
q-bio.BM2018★ 2 cited
Algebraic graph learning of protein-ligand binding affinity
Duc Duy Nguyen, Guo-Wei Wei
Although algebraic graph theory based models have been widely applied in physical modeling and molecular studies, they are typically incompetent in the analysis and prediction of b…
q-bio.QM2018★ 1 cited
DG-GL: Differential geometry based geometric learning of molecular datasets
Duc Duy Nguyen, Guo-Wei Wei
Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex…
q-bio.BM2018★ 7 cited
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
Duc Duy Nguyen, Zixuan Cang, Kedi Wu +3
Advanced mathematics, such as multiscale weighted colored graph and element specific persistent homology, and machine learning including deep neural networks were integrated to con…