ProteinMCP : An agentic AI framework for autonomous protein engineering

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Authors: Xiaopeng Xu, Chenjie Feng, Chao Zha, Wenjia He, Maolin He, Bin Xiao, X.-J. Gao
Cited by: 2
References: 19

Abstract

Computational protein design is often constrained by slow, complex, inaccessible, and highly sophisticated and expert-dependent workflows that hinder its transferrability and generalization power for broader applications. We present ProteinMCP, an agentic AI framework designed to accelerate and democratize protein engineering. ProteinMCP automates end-to-end scientific tasks, delivering dramatic gains in efficiency; for instance, a comprehensive protein fitness modeling workflow was completed in just 11 min. This performance is achieved by an AI agent that intelligently orchestrates a unified ecosystem of 38 specialized tools, made accessible through a model-context-protocol (MCP). A cornerstone of the framework is an automated pipeline that converts existing software into MCP-compliant servers, ensuring the platform is both powerful and perpetually extensible. We further demonstrate its capabilities through the successful autonomous design and selection of high-affinity de novo binders and therapeutic nanobodies. By removing technical barriers, ProteinMCP has the potential to shorten the design-build-test cycle and make advanced computational protein design accessible to the broader scientific community.

Fields of Study & Subjects

vaccines and immunoinformatics approaches Monoclonal and Polyclonal Antibodies Research Protein Structure and Dynamics

Publication details

Journal / source
Protein Science
Publisher
Wiley
Volume
35
Issue
4
Pages
e70547–e70547
Publication date
25 March 2026
Language
EN