Improving scoring functions for protein-protein docking with LambdaLoss
This study introduced LambdaDockScore, an improved protein-protein docking scoring function by applying a novel loss function called LambdaLoss during fine-tuning of DFMDock. LambdaLoss focuses on accurately ranking potential poses by penalizing incorrect relative orderings between poses with different ground-truth quality scores, leading to superior performance over baseline models on various complex targets.