MeDCycFold: A Rosetta Distillation Model to Accelerate Structure Prediction of Cyclic Peptides with Backbone N-methylation and D-amino Acids
Zhigang Cao, Tianfeng Shang, Sen Cao, Linghong Wang, Zhiguo Wang, Qingyi Mao, Jingjing Guo, Hongliang Duan
MeDCycFold accelerates cyclic peptide structure prediction using a deep learning-based Rosetta distillation model, achieving 49x speedup while maintaining Rosetta-level accuracy.
bioRxiv · Apr 10, 2025 · PreprintBioinformatics