Physics-aware Graph Neural Network for Accurate RNA 3D Structure Prediction. (arXiv:2210.16392v1 [cs.LG])

Biological functions of RNAs are determined by their three-dimensional (3D)
structures. Thus, given the limited number of experimentally determined RNA
structures, the prediction of RNA structures will facilitate elucidating RNA
functions and RNA-targeted drug discovery, but remains a challenging task. In
this work, we propose a Graph Neural Network (GNN)-based scoring function
trained only with the atomic types and coordinates on limited solved RNA 3D
structures for distinguishing accurate structural models. The proposed
Physics-aware Multiplex Graph Neural Network (PaxNet) separately …

arxiv graph graph neural network network neural network physics prediction rna