4 citations · 4 across the 2 of their papers we have counts for
5 papers
A review of mathematical representations of biomolecules
Duc D Nguyen, Zixuan Cang, Guo-Wei Wei
Recently, machine learning (ML) has established itself in various worldwide benchmarking competitions in computational biology, including Critical Assessment of Structure Predictio…
Persistent cohomology for data with multicomponent heterogeneous information
Zixuan Cang, Guo-Wei Wei
Persistent homology is a powerful tool for characterizing the topology of a data set at various geometric scales. When applied to the description of molecular structures, persisten…
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…
Topological fingerprints reveal protein-ligand binding mechanism
Zixuan Cang, Guo-Wei Wei
Protein-ligand binding is a fundamental biological process that is paramount to many other biological processes, such as signal transduction, metabolic pathways, enzyme constructio…
Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology
Zixuan Cang, Guo-Wei Wei
Motivation: Site directed mutagenesis is widely used to understand the structure and function of biomolecules. Computational prediction of protein mutation impacts offers a fast, e…