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Aug 2026

HighMorph: De Novo Cyclic Peptide Sequence Design via Protein-Protein Interaction Recapitulation.

HighMorph is presented, an interaction-guided framework that combines protein–protein interaction information with artificial intelligence for rational cyclic peptide design and provides insights for developing therapeutics targeting challenging protein interfaces.

M. Lan, Cheng-Yun Zhang, Wentong Wang et al. · 0 citations
Open access Sep 2026

Random in vitro Protein single-Loop Engineering (RiPLE) by mRNA display

Peptide lasso-grafting strategies enable the transfer of established pharmacophores into compact protein scaffolds but often require optimization to preserve target binding and biological activity. Here, we report Random in-vitro Protein single-Loop Engineering (RiPLE), an mRNA-display strategy for the direct discovery...

Kilian Colas, T. Ko, G. Philippe et al. · 0 citations
Open access Aug 2026

De novo Design of Macrocyclic Molecular Glues

EvoBind-multimer is presented, a deep learning framework for the de novo design of molecular glues directly from protein sequences that generates small macrocyclic peptides that bridge user-defined protein pairs without requiring prior interface knowledge or existing ligands.

Andrä Brunner, Krzysztof Wierbiłowicz, Diandra Daumiller et al. · 0 citations
Open access Sep 2026

Chemical Synthesis and Functional Screening of an 800 000-Member Library Using a Peptide-Pairing Strategy.

Peptide library generation by chemical synthesis allows using a wide range of non-canonical amino acids and thus the screening of chemically and structurally highly diverse libraries. However, despite recent improvements in high-throughput synthesis such as solid-phase peptide synthesis in 384-well plates, the size of...

Anne Zarda, Xing-Wang Deng, Edward J. Will et al. · 0 citations
Open access Sep 2026

De novo design of flexible protein interactions with GuideFlip

De novo design of protein binders requires a target structure. However, for flexible targets, such as intrinsically disordered proteins, this structure does not exist until the binder has stabilized the interaction. Such targets are therefore difficult for methods that separate structure generation from sequence design...

Kai Yi, Qing-Chao Chen, Dong-Qi Zhang et al. · 0 citations
Open access Aug 2026

Enhancing De Novo Designed Peptides and Proteins via Irreversible Covalent Isoquinolinium Capture

Irreversible covalent inhibitors have garnered significant attention in recent years. Despite encouraging progress, the vast majority contain electrophiles that target the least abundant amino acid cysteine, substantially limiting target inhibitor design for therapeutic intervention. Here, we generalize 2-ethynylbenzal...

Paul M. Levine, Patrick W. Erickson, Timothy W. Craven et al. · 0 citations

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