259 citations · 631 across the 36 of their papers we have counts for
7 papers · 1 filter
Persistent spectral based machine learning (PerSpect ML) for drug design
Zhenyu Meng, Kelin Xia
In this paper, we propose persistent spectral based machine learning (PerSpect ML) models for drug design. Persistent spectral models, including persistent spectral graph, persiste…
Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis
D Vijay Anand, Kelin Xia, Yuguang Mu
It has long been observed that trimethylamin N-oxide (TMAO) and urea demonstrate dramatically different properties in a protein folding process. Even with the enormous theoretical…
Persistent homology analysis of osmolyte molecular aggregation and their hydrogen-bonding networks
Kelin Xia, D Vijay Anand, Shikhar Saxena +1
Two types of osmolytes, i.e., trimethylamin N-oxide (TMAO) and urea, demonstrate dramatically different properties in a protein folding process. Even with the great progresses in r…
Persistent homology analysis of ion aggregation and hydrogen-bonding network
Kelin Xia
Despite the great advancement of experimental tools and theoretical models, a quantitative characterization of the microscopic structures of ion aggregates and its associated water…
Sequence-based Multiscale Model (SeqMM) for High-throughput chromosome conformation capture (Hi-C) data analysis
Kelin Xia
In this paper, I introduce a Sequence-based Multiscale Model (SeqMM) for the biomolecular data analysis. With the combination of spectral graph method, I reveal the essential diffe…
A quantitative structure comparison with persistent similarity
Kelin Xia
Biomolecular structure comparison not only reveals evolutionary relationships, but also sheds light on biological functional properties. However, traditional definitions of structu…