11 citations · 18 across the 3 of their papers we have counts for
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q-bio.QM2020★ 11 cited
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…
q-bio.QM2019★ 2 cited
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…