arXiv:2602. 11189v2 Announce Type: replace-cross Abstract: Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties.
By Yitian Wang, Fanmeng Wang, Angxiao Yue, Wentao Guo, Yaning Cui, Hongteng Xu
Cyclic peptides are emerging as promising molecular scaffolds in drug discovery due to their high binding affinity and structural stability. However, extending generative models from linear to cyclic...
arXiv:2608. 19808v1 Announce Type: new Abstract: Cyclic peptides are emerging as promising molecular scaffolds in drug discovery due to their high binding affinity and structural stability.
By Guofeng Zhang, Rong Han, Xiaoyu Wang, Zhiyun Li, Zongbo Han, Xiaohong Liu, Guangyu Wang
arXiv:2606.27824v3 Announce Type: replace-cross
Abstract: Therapeutic peptides are a promising drug modality, but their generation must satisfy multiple therapeutic constraints. We introduce BindSafe...
By Takashi Fujiwara, Hikaru Shindo, Kaushalya Madhawa, Jun Jin Choong, Shuan Chen, Yuna Oikawa, Yiming Zhang, Gyubok Lee, Keisuke Ozawa
arXiv:2606. 14510v1 Announce Type: new Abstract: Macrocyclic peptides are promising therapeutic candidates for intracellular targets, but their design requires simultaneous control over non-natural monomer chemistry, ring topology, membrane permeability, and target binding.
By Junming Zhang, Siyu Yi, Wei Ju, Zhonghui Gu
arXiv:2604.18467v3 Announce Type: replace-cross
Abstract: Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterizat...
By Chupei Tang, Junxiao Kong, Moyu Tang, Di Wang, Jixiu Zhai, Ronghao Xie, Shangkun Sima, Tianchi Lu