HighPlay:Cyclic Peptide Sequence Design Based on Reinforcement Learning and Protein Structure Prediction
Huitian Lin, Cheng Zhu, Tianfeng Shang, Ning Zhu, Kang Lin, Chengyun Zhang, Xiang Shao, Xudong Wang, Hongliang Duan
HighPlay uses reinforcement learning and protein structure prediction to design cyclic peptides with good binding affinity, validated through molecular dynamics simulation and experimental testing.
Journal of Medicinal Chemistry · May 23, 2025Peer-reviewedBioinformatics