362 citations · 588 across the 6 of their papers we have counts for
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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…
physics.bio-ph2019★ 362 cited
OnionNet: a multiple-layer inter-molecular contact based convolutional neural network for protein-ligand binding affinity prediction
Liangzhen Zheng, Jingrong Fan, Yuguang Mu
Computational drug discovery provides an efficient tool helping large scale lead molecules screening. One of the major tasks of lead discovery is identifying molecules with promisi…
q-bio.QM2019★ 20 cited
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…