2 papers
cs.LG2026
PepALD: Macrocyclic Peptide Generation via Autoregressive Latent Diffusion
Junming Zhang, Siyu Yi, Wei Ju +1
Macrocyclic peptides are promising therapeutic candidates for intracellular targets, but their design requires simultaneous control over non-natural monomer chemistry, ring topolog…
q-bio.BM2023
DiffBindFR: An SE(3) Equivariant Network for Flexible Protein-Ligand Docking
Jintao Zhu, Zhonghui Gu, Jianfeng Pei +1
Molecular docking, a key technique in structure-based drug design, plays pivotal roles in protein-ligand interaction modeling, hit identification and optimization, in which accurat…