From Static to Dynamic Structures: Improving Binding Affinity Prediction with a Graph-Based Deep Learning Model

Y Min, Y Wei, P Wang, X Wang, H Li, N Wu… - arXiv preprint arXiv …, 2022 - arxiv.org
Accurate prediction of the protein-ligand binding affinities is an essential challenge in the
structure-based drug design. Despite recent advance in data-driven methods in affinity …
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From Static to Dynamic Structures: Improving Binding Affinity Prediction with a Graph-Based Deep Learning Model

Y Min, Y Wei, P Wang, X Wang, H Li, N Wu… - arXiv e …, 2022 - ui.adsabs.harvard.edu
Accurate prediction of the protein-ligand binding affinities is an essential challenge in the
structure-based drug design. Despite recent advance in data-driven methods in affinity …