Molecular BiologybioRxivPreprint
Advancing Ligand Binding Affinity Prediction with Cartesian Tensor-Based Deep Learning
Jie Yu, Xia Sheng, Zhehuan Fan…·Mingyue Zheng
PBCNet2.0 predicts protein-ligand binding affinity using a cartesian tensor-based Siamese Neural Network, achieving high accuracy and efficiency compared to physics-based simulations.
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