Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction
Eric Alcaide, Zhifeng Gao, Guolin Ke, Yaqi Li, Linfeng Zhang, Hang Zheng, Gengmo Zhou
Topics & Concepts
Docking (animal)Computer scienceOverfittingArtificial intelligenceProtein–ligand dockingMachine learningVirtual screeningSoundnessData miningMacromolecular dockingAlgorithmTraining setSteric effectsClassifier (UML)Computational modelMachine Learning in Materials ScienceComputational Drug Discovery MethodsManufacturing Process and Optimization