182 citations · 232 across the 9 of their papers we have counts for
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q-bio.BM2022★ 34 cited
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
Yaosen Min, Ye Wei, Peizhuo Wang +10
Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity predi…
cs.LG2022★ 6 cited
Going Deeper into Permutation-Sensitive Graph Neural Networks
Zhongyu Huang, Yingheng Wang, Chaozhuo Li +1
The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite c…