Overview

Protein binder design aims to create proteins—such as antibodies, nanobodies, and peptides—that attach to chosen targets, potentially enabling new therapeutics and research tools. Methods include diffusion and flow models that jointly generate sequences and structures, language-model and structure-predictor-guided design, and optimization or ranking of candidates for target fit, affinity, and selectivity. Benchmarks increasingly test unseen targets and epitopes, structural diversity, and computational cost, while experiments assess whether predicted binders actually bind. A key challenge is that structure-based confidence scores do not reliably predict experimental affinity or generalize across target families, so efficient design still needs robust validation and better measures of function.

Latest papers

CardsList

23 papers9 papers in the last four weeks, against 2 the four weeks before. 0.1% of all new papers.

  1. Computational De Novo Design of Miniprotein Candidate Neutralizers Targeting the IL-23 Cytokine Subunit p19

    Oct 23, 2026Raghav Paladugu, Fardina Fathmiul AlamProtein Binder DesignProtein Design

  2. Aptamers as a sandbox for lab-in-the-loop agentic molecular discovery

    Oct 17, 2026Zachary Cutts, John Coller, Rachel Chen +9AI Agents for Scientific DiscoveryMolecule Design

  3. InstructPro2: Natural Language and Biological Grounding Guided De Novo Protein Design

    Oct 14, 2026Charles Novak, Zhenqiao Song, Chuan Li +2Protein DesignProtein Language Models

  4. DC-Flow: Target-Conditioned Cyclic Peptide Design via Delayed-Coupling Flow Matching

    Oct 11, 2026Yitian Wang, Minjie Cheng, Yaning Cui +3Protein Structure GenerationMolecular Generation

  5. Joint Discrete and SE(3) Diffusion for Protein Interface Design

    Oct 10, 2026Zhenqiao Song, Jianwen Xie, Lei LiProtein Binder DesignMolecular Generation

  6. Designing Protein Structures from Natural Language

    Oct 9, 2026Joseph Lee, Yanjing Li, Bo Qiang +7Protein Structure GenerationProtein Design

  7. Inference-Time Steering Across Scaffolds and Epitopes for Sample-Efficient De Novo Nanobody Design

    Oct 9, 2026Mason Minot, Simon Friedensohn, Cédric R. WeberInference-Time Compute AllocationProtein Binder Design

  8. CODesign: Consistency from Data to Trajectory in All-Atom Protein Binder Co-Design

    Oct 1, 2026Yuanle Mo, Bo Qiang, Haitao Lin +4Molecular GenerationProtein Design

  9. Robust Biomolecular Complex Design Across Protein Conformational Landscapes

    Sep 27, 2026Qingyuan Zeng, Zongqi Xu, Anglin Liu +7Test-Time AdaptationMulti-Objective Evolutionary Optimization

  10. TorchCraft: Unified binder design by inverting an all-atom structure predictor

    Sep 17, 2026TorchCraft Team, Yu Liu, Zhouhanyu Shen +8Molecular GenerationProtein Design

  11. Natural-Language-Guided Generator-Agnostic Shortlisting for Protein Binder Design

    Aug 21, 2026Gyubok Lee, Kiwoong Yoo, Jimin Seo +3LLM RerankingBioinformatics

  12. FAR-DPO: Feasibility-Aware and Robust Direct Preference Optimization for Cyclic Peptide Design

    Aug 20, 2026Guofeng Zhang, Rong Han, Xiaoyu Wang +4Molecular GenerationConstrained Generative Modeling

  13. Chamaileon: Cross-Context Binder Design with Contextualized Modeling and Mixed Sampling

    Jul 26, 2026Hengyuan Cao, Shizhuo Cheng, Mingxuan Liu +5Molecular GenerationProtein Design

  14. Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints

    Jul 20, 2026Thomas MacDougall, Maksim Kuznetsov, Roman Schutski +5Constrained Generative ModelingLLM Evaluation

  15. AlloGen: Conformation-Selective Binder Generation with Differential State Scoring

    Jun 3, 2026Hanqun Cao, Zachary Quinn, Aastha Pal +4Protein-Protein Interaction PredictionProtein Design

  16. SurfDesign: Effective Protein Design on Molecular Surfaces

    May 25, 2026Fang Wu, Shuting Jin, Xiangru Tang +5Protein DesignMolecular Representation Learning

  17. TD3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation

    May 10, 2026Hanqun Cao, Aastha Pal, Sophia Tang +4Molecular GenerationProtein Design

  18. ProtDBench: A Unified Benchmark of Protein Binder Design and Evaluation

    May 5, 2026Cong Liu, Milong Ren, Jiaqi Guan +4Protein Structure PredictionBenchmark Construction

  19. A-CODE: Fully Atomic Protein Co-Design with Unified Multimodal Diffusion

    May 5, 2026Chaoran Cheng, Jiaqi Guan, Milong Ren +5Protein Structure GenerationGenerative Modeling

  20. Scaling Atomistic Protein Binder Design with Generative Pretraining and Test-Time Compute

    Mar 30, 2026Kieran Didi, Zuobai Zhang, Guoqing Zhou +11Protein Binder DesignProtein Design

  21. CHIMERA-Bench: A Benchmark Dataset for Epitope-Specific Antibody Design

    Mar 13, 2026Mansoor Ahmed, Nadeem Taj, Imdad Ullah Khan +2Benchmark DesignProtein Binder Design

  22. Deep learning-guided evolutionary optimization for protein design

    Mar 3, 2026Erik Hartman, Di Tang, Johan MalmströmProtein DesignSurrogate-Assisted Optimization