ORIGAMI: Orientation-Aware Graph Neural Network for Assessing Multimeric Interfaces of Protein Complex Structures (opens in new tab)

Deep learning-based protein structure prediction methods have led to a paradigm-shift in computational structural biology, yet reliably assessing the quality of computationally predicted multimeric structures remains challenging. Recent methods have demonstrated benefits of employing graph neural networks for assessing multimeric interfaces of protein complexes, but ignore geometric orientational features naturally occurring in 3-dimensional protein conformational space and act only on scalar...