Hidden Structural States of Proteins Revealed by Conformer Selection with AlphaFold-NMR.

• Tác giả: Yuanpeng J Huang, Naohiro Kobayashi, Gaetano T Montelione, Theresa A Ramelot, Laura E Spaman
• Ngôn ngữ: eng
• Ký hiệu phân loại: 572.67 +Structural proteins
• Thông tin xuất bản: United States : Research square , 2025
• Bộ sưu tập: NCBI
• ID: 692631

Tóm tắt

We introduce AlphaFold-NMR, a novel approach to NMR structure determination that reveals previously undetected protein conformational states. Unlike conventional NMR methods that rely on NOE-derived spatial restraints, AlphaFold-NMR combines AI-driven conformational sampling with Bayesian scoring of realistic protein models against NOESY and chemical shift data. This method uncovers alternative conformational states of the enzyme