2 papers
q-bio.BM2026
SurfDesign: Effective Protein Design on Molecular Surfaces
Fang Wu, Shuting Jin, Xiangru Tang +5
Protein function is largely determined by molecular surface geometry and physicochemical complementarity, yet most protein design methods condition only on backbone structure. We i…
cs.LG2026
Surface-based Molecular Design with Multi-modal Flow Matching
Fang Wu, Zhengyuan Zhou, Shuting Jin +3
Therapeutic peptides show promise in targeting previously undruggable binding sites, with recent advancements in deep generative models enabling full-atom peptide co-design for spe…