115 citations · 117 across the 2 of their papers we have counts for
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physics.bio-ph2019
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…
physics.bio-ph2008★ 115 cited
Molecular dynamics simulation of multivalent ion mediated DNA attraction
Liang Dai, Yuguang Mu, Lars Nordenskiold +1
All atom molecular dynamics simulations with explicit water were done to study the interaction between two parallel double-stranded DNA molecules in the presence of the multivalent…