Assisting and Accelerating NMR Assignment with Restrained Structure Prediction
Sirui Liu, Haotian Chu, Yuhao Xie, Fangming Wu, Fangjing Mu, Jiachen Wei, Ningxi Ni, Chenghao Wang, Jun Zhang, Mengyun Chen, Junbin Li, Yu Fan, Hui Fu, Shenlin Wang, Changlin Tian, , Yi Qin Gao
This paper introduces RASP, a deep learning model that improves structure prediction with restraints, and FAAST, a pipeline that accelerates NMR NOESY peak assignment and structure ensemble generation.
Communications Biology · Jul 18, 2025Peer-reviewedBioinformatics